SCHEMBL741043

SCHEMBL741043

COC(=O)C(O)[C@H](CC(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CTSK P43235 3/20 0.46
CTSL P07711 2/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44
APH1B Q8WW43 2/20 0.44
NCSTN Q92542 2/20 0.44
APH1A Q96BI3 2/20 0.44
PSENEN Q9NZ42 2/20 0.44
CYP2D6 P10635 1/20 0.43
KLK5 Q9Y337 2/20 0.43
CA12 O43570 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CAPN1 P07384 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19618687 1.00 CA1 (0.55) CA1CA2CA7CTSKCTSL
SCHEMBL10724727 1.00 CA1 (0.55) CA1CA2CA7CTSKCTSL
SCHEMBL5564464 1.00 CA1 (0.55) CA1CA2CA7CTSKCTSL
SCHEMBL10724721 1.00 CA1 (0.55) CA1CA2CA7CTSKCTSL
SCHEMBL8446912 0.88 CA1 (0.53) CA1CA2CA7CTSKCTSL
SCHEMBL14385267 0.88 CA1 (0.53) CA1CA2CA7CTSKCTSL
SCHEMBL13078313 0.88 CA1 (0.53) CA1CA2CA7CTSKCTSL
SCHEMBL5496417 0.87 CA1 (0.48) CA1CA2CA7CTSKCTSS
SCHEMBL3893779 0.86 CA1 (0.46) CA1CA2CA7CTSKCTSL
SCHEMBL7320189 0.86 CA1 (0.57) CA1CA2CA7CTSKCTSL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11786504-B2 Taxane analogs for the treatment of brain cancer TAPESTRY PHARMACEUTICALS, INC. (US) 2023-10-17 US disclosed
US-11220512-B2 Biologically active taxane analogs and methods of treatment by oral administration TAPESTRY PHARMACEUTICALS, INC. (US) 2022-01-11 US disclosed
US-20210401797-A1 Taxane Analogs for the Treatment of Brain Cancer TAPESTRY PHARMACEUTICALS, INC. (US) 2021-12-30 US disclosed
US-20200347076-A1 Biologically Active Taxane Analogs and Methods of Treatment by Oral Administration TAPESTRY PHARMACEUTICALS INC (US) 2020-11-05 US disclosed
US-10745408-B2 Biologically active taxane analogs and methods of treatment by oral administration TAPESTRY PHARMACEUTICALS, INC. (US) 2020-08-18 US disclosed
US-10450323-B2 Biologically active taxane analogs and methods of treatment by oral administration TAPESTRY PHARMACEUTICALS, INC. (US) 2019-10-22 US disclosed
US-20180105535-A1 Biologically Active Taxane Analogs and Methods of Treatment by Oral Administration TAPESTRY PHARMACEUTICALS, INC. 2018-04-19 US disclosed
US-9802951-B2 Biologically active taxane analogs and methods of treatment by oral administration TAPESTRY PHARMACEUTICALS, INC. (US) 2017-10-31 US disclosed
EP-1498411-B9 DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2013-12-04 EP disclosed
EP-1498411-B1 DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO (JP) 2013-01-16 EP disclosed
US-20070004642-A1 Oxadiazole derivatives and drugs containing these derivatives as the active ingredient ONO PHARMACEUTICAL CO., LTD. 2007-01-04 US disclosed
US-20070004642-A1 Oxadiazole derivatives and drugs containing these derivatives as the active ingredient ONO PHARMACEUTICAL CO., LTD. 2007-01-04 US disclosed
US-7144901-B2 Oxadiazole derivatives and drugs containing these derivatives as the active ingredient ONO PHARMACEUTICAL CO.,LTD. (JP) 2006-12-05 US disclosed
US-20060111303-A1 Diketohydrazine derivative compounds and drugs contaiing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-25 US disclosed
EP-1498411-A1 DIKETOHYDRAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2005-01-19 EP disclosed
US-6797720-B2 1,3,4-oxadiazoline derivative and an agent comprising its derivative as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-09-28 US disclosed
US-20030166574-A1 1,3,4-Oxadiazoline derivatives and drugs containing these derivatives as active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2003-09-04 US disclosed
US-20030166573-A1 Such as (2S)-N-((2S)-4-methyl-1-(5-(1-methylethylthio)1,3,4-oxadiazol-2-yl)-1-oxo-2 -pentyl)-2-benzyloxycarbonylamino-4-methylpentanamide for inhibition of cysteine proteases; antiinflammatory agents ONO PHARMACEUTICAL CO., LTD. (JP) 2003-09-04 US disclosed
EP-1234820-A1 OXADIAZOLE DERIVATIVES AND DRUGS CONTAINING THESE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-08-28 EP disclosed
EP-1234821-A1 1,3,4-OXADIAZOLINE DERIVATIVES AND DRUGS CONTAINING THESE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-08-28 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210401797-A1 Taxane Analogs for the Treatment of Brain Cancer TUBB, TUBB2A, TUBB1 CA1 2698/4885CA2 3583/4885CA7 2691/4885
US-20030166574-A1 1,3,4-Oxadiazoline derivatives and drugs containing these derivatives as active ingredient ACIN1, CASP7, SERPINE1 CA1 501/4885CA2 1618/4885CA7 1281/4885
US-20180105535-A1 Biologically Active Taxane Analogs and Methods of Treatment by Oral Administration DPYD, DUT, TOP2B CA1 2682/4885CA2 4099/4885CA7 1437/4885
US-11220512-B2 Biologically active taxane analogs and methods of treatment by oral administration DPYD, DUT, TOP2B CA1 2682/4885CA2 4099/4885CA7 1437/4885
US-20070004642-A1 Oxadiazole derivatives and drugs containing these derivatives as the active ingredient ACIN1, CYCS, CASP7 CA1 538/4885CA2 1853/4885CA7 1781/4885
US-10450323-B2 Biologically active taxane analogs and methods of treatment by oral administration DPYD, DUT, TOP2B CA1 2682/4885CA2 4099/4885CA7 1437/4885
US-20200347076-A1 Biologically Active Taxane Analogs and Methods of Treatment by Oral Administration DPYD, DUT, TOP2B CA1 2682/4885CA2 4099/4885CA7 1437/4885
US-20060111303-A1 Diketohydrazine derivative compounds and drugs contaiing the compounds as the active ingredient SERPINB1, CTSZ, SERPINE1 CA1 326/4885CA2 784/4885CA7 914/4885
US-11786504-B2 Taxane analogs for the treatment of brain cancer TUBB, TUBB2A, TUBB1 CA1 2698/4885CA2 3583/4885CA7 2691/4885
US-20030166573-A1 Such as (2S)-N-((2S)-4-methyl-1-(5-(1-methylethylthio)1,3,4-oxadiazol-2-yl)-1-oxo-2 -pentyl)-2-benzyloxycarbonylamino-4-methylpentanamide for inhibition of cysteine proteases; antiinflammatory agents ACIN1, CASP7, ASNS CA1 739/4885CA2 2018/4885CA7 2347/4885
US-10745408-B2 Biologically active taxane analogs and methods of treatment by oral administration DPYD, DUT, TOP2B CA1 2682/4885CA2 4099/4885CA7 1437/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.