Sugi Predict

Sugi Predict / Compounds / SCHEMBL8199654

SCHEMBL8199654

SCHEMBL8199654

N[C@@H](C(=O)OC1CCCC1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 5/20 0.50
▸ LMNA P02545 4/20 0.50
▸ BLM P54132 4/20 0.50
▸ CHRM2 P08172 4/20 0.50
▸ CHRM1 P11229 4/20 0.50
▸ THRB P10828 3/20 0.50
▸ PMP22 Q01453 3/20 0.50
▸ CHRM4 P08173 3/20 0.50
▸ CHRM5 P08912 3/20 0.50
▸ CHRM3 P20309 3/20 0.50
▸ CYP1A2 P05177 3/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MTOR P42345 1/20 0.50
▸ HTT P42858 1/20 0.49
▸ CYP19A1 P11511 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP3A4 P08684 3/20 0.46

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
SCHEMBL1491629 1.00 CYP2D6 (0.50) CYP2D6LMNABLMCHRM2CHRM1
SCHEMBL1491633 1.00 CYP2D6 (0.50) CYP2D6LMNABLMCHRM2CHRM1
SCHEMBL720341 0.98 CYP2D6 (0.49) CYP2D6LMNABLMCHRM2CHRM1
Cyclopentane SCHEMBL4965591 0.98 CYP2D6 (0.49) CYP2D6LMNABLMCHRM2CHRM1
SCHEMBL720740 0.98 CYP2D6 (0.49) CYP2D6LMNABLMCHRM2CHRM1
SCHEMBL720340 0.98 CYP2D6 (0.49) CYP2D6LMNABLMCHRM2CHRM1
SCHEMBL13086832 0.85 CYP19A1 (0.46) CYP2D6LMNABLMCHRM2CHRM1
SCHEMBL13086831 0.85 CYP19A1 (0.46) CYP2D6LMNABLMCHRM2CHRM1
SCHEMBL2541670 0.83 CYP2D6 (0.47) CYP2D6LMNABLMCHRM2CHRM1
SCHEMBL16789090 0.83 MEN1 (0.57) CYP2D6LMNABLMCHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069291-B1 HDAC INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2017-12-20 — — EP disclosed
US-9725407-B2 HDAC inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-08-08 — — US disclosed
US-9725407-B2 HDAC inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-08-08 — — US disclosed
US-20160137594-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2016-05-19 — — US disclosed
US-20160137594-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2016-05-19 — — US disclosed
US-9273003-B2 Methods of treating lymphoma and rheumatoid arthritis with cyclopentyl (2S)-cyclohexyl[({6-[3-(hydroxyamino)-3-oxopropyl]pyridin-3-yl}methyl)amino]acetate GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-01 — — US disclosed
US-9273003-B2 Methods of treating lymphoma and rheumatoid arthritis with cyclopentyl (2S)-cyclohexyl[({6-[3-(hydroxyamino)-3-oxopropyl]pyridin-3-yl}methyl)amino]acetate GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-01 — — US disclosed
US-20140323531-A1 HDAC INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2014-10-30 — — US disclosed
US-20140323531-A1 HDAC INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2014-10-30 — — US disclosed
US-8637547-B2 Compounds which inhibit members of the histone deacetylase family of enzymes and their use in the treatment of cell proliferative diseases CHROMA THERAPEUTICS LTD. (GB) 2014-01-28 — — US disclosed
EP-2295410-A1 HDAC inhibitor Chroma Therapeutics Limited (GB) 2011-03-16 — — EP disclosed
US-20100010057-A1 THIAZOLE DERIVATIVES AS INHIBITORS OF P13 KINASE CHROMA THERAPEUTICS LTD. (GB) 2010-01-14 — — US disclosed
US-20100010057-A1 THIAZOLE DERIVATIVES AS INHIBITORS OF P13 KINASE CHROMA THERAPEUTICS LTD. (GB) 2010-01-14 — — US disclosed
US-20100010010-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-01-14 — — US disclosed
US-20100010010-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2010-01-14 — — US disclosed
US-20100004250-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2010-01-07 — — US disclosed
US-20100004250-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2010-01-07 — — US disclosed
WO-2008050078-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2008-05-02 — — WO disclosed
WO-2008040934-A1 HDAC INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2008-04-10 — — WO disclosed
WO-2007129048-A1 THIAZOLE DERIVATIVES AS INHIBITORS OF P13 KINASE CHROMA THERAPEUTICS LTD. (GB) 2007-11-15 — — WO 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 (5 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-20140323531-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 CYP2D6 2865/4885LMNA 587/4885BLM 4700/4885
US-20100010010-A1 HDAC INHIBITORS HDAC1, HDAC3, HDAC2 CYP2D6 2796/4885LMNA 573/4885BLM 4700/4885
US-20160137594-A1 HDAC INHIBITORS HDAC1, HDAC11, HDAC2 CYP2D6 3516/4885LMNA 319/4885BLM 4269/4885
US-20100010057-A1 THIAZOLE DERIVATIVES AS INHIBITORS OF P13 KINASE NR4A3, NR2E1, NR2E3 CYP2D6 2392/4885LMNA 2914/4885BLM 4762/4885
US-20100004250-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER PLK2, PLK4, PLK3 CYP2D6 1128/4885LMNA 846/4885BLM 824/4885

“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.