SCHEMBL3783892

SCHEMBL3783892

CC(C)(C)OC(=O)N[C@H](CCBr)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 7/20 0.49
▸ CTSS P25774 6/20 0.49
▸ MEN1 O00255 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PPARA Q07869 7/20 0.46
▸ PPARG P37231 6/20 0.46
▸ CTSL P07711 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ ACE P12821 1/20 0.45
▸ PPARD Q03181 2/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ IDO1 P14902 1/20 0.42
▸ ITGB3 P05106 1/20 0.42
▸ ITGA2B P08514 1/20 0.42

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
SCHEMBL2062991 1.00 CTSK (0.49) CTSKCTSSMEN1GAAKMT2A
SCHEMBL2062994 1.00 CTSK (0.49) CTSKCTSSMEN1GAAKMT2A
SCHEMBL3378213 0.90 CTSK (0.51) CTSKCTSSMEN1GAAKMT2A
SCHEMBL3570961 0.90 CTSK (0.51) CTSKCTSSMEN1GAAKMT2A
SCHEMBL3585273 0.90 CTSK (0.51) CTSKCTSSMEN1GAAKMT2A
SCHEMBL1162230 0.89 CTSK (0.50) CTSKCTSSMEN1GAAKMT2A
SCHEMBL27604122 0.89 CTSK (0.50) CTSKCTSSMEN1GAAKMT2A
SCHEMBL16339562 0.87 CTSK (0.49) CTSKCTSSMEN1GAAKMT2A
SCHEMBL16339563 0.87 CTSK (0.49) CTSKCTSSMEN1GAAKMT2A
SCHEMBL13422140 0.86 CTSK (0.46) CTSKCTSSMEN1GAAKMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238631-B2 Radiolabeled amino acids for diagnostic imaging PIRAMAL IMAGING SA (CH) 2016-01-19 — — US disclosed
US-20150011773-A1 RADIOLABELED AMINO ACIDS FOR DIAGNOSTIC IMAGING PIRAMAL IMAGING SA (CH) 2015-01-08 — — US disclosed
EP-2705012-A1 RADIOLABELED AMINO ACIDS FOR DIAGNOSTIC IMAGING Piramal Imaging SA (CH) 2014-03-12 — — EP disclosed
WO-2012150220-A1 RADIOLABELED AMINO ACIDS FOR DIAGNOSTIC IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-11-08 — — WO disclosed
EP-2520556-A1 Radiolabeled amino acids for diagnostic imaging Bayer Pharma Aktiengesellschaft (DE) 2012-11-07 — — EP disclosed
US-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER CHROMA THERAPEUTICS LTD. (GB) 2010-08-26 — — US disclosed
EP-2086956-A1 INHIBITORS OF IKK- BETA SERINE-THREONINE PROTEIN KINASE Chroma Therapeutics Limited (GB) 2009-08-12 — — EP disclosed
WO-2008053185-A1 INHIBITORS OF IKK-β SERINE-THREONINE PROTEIN KINASE CHROMA THERAPEUTICS LTD. (GB) 2008-05-08 — — 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 (2 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-20150011773-A1 RADIOLABELED AMINO ACIDS FOR DIAGNOSTIC IMAGING SLC1A5, SLC6A19, BCAT2 CTSK 627/4885CTSS 809/4885MEN1 34/4885
US-20100216802-A1 PTERIDINE DERIVATIVES AS POLO-LIKE KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER PLK2, PLK4, PLK3 CTSK 983/4885CTSS 2866/4885MEN1 2733/4885

“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.

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