SCHEMBL2950087

SCHEMBL2950087

O=C(O)c1sc2[nH]c(=O)ccc2c1Br

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UCHL1 P09936 11/20 0.35
UCHL3 P15374 1/20 0.35
TGM2 P21980 1/20 0.35
CASP3 P42574 1/20 0.35
USP5 P45974 1/20 0.35
GPR35 Q9HC97 2/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
BCKDK O14874 1/20 0.32
MCL1 Q07820 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
DAO P14920 1/20 0.32

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
SCHEMBL2947166 0.85 LIMK1 (0.33) UCHL1UCHL3TGM2CASP3USP5
SCHEMBL5648879 0.78 KDM4E (0.41) UCHL1UCHL3TGM2CASP3USP5
SCHEMBL29163700 0.67 PDE3B (0.39) PDE3BPDE3A
SCHEMBL22310341 0.67 PIM1 (0.41) PDE3BPDE3A
SCHEMBL12895320 0.65 GPR35 (0.35) GPR35BCKDKMCL1RXFP1DAO
SCHEMBL346530 0.65 MCL1 (0.62) MCL1RXFP1
SCHEMBL11804199 0.64 GPR35 (0.48) GPR35MCL1RXFP1DAO
SCHEMBL4277521 0.63 MCL1 (0.67) GPR35BCKDKMCL1RXFP1
SCHEMBL3492612 0.62 IKBKB (0.55) GPR35RXFP1
SCHEMBL1267416 0.62 ALDH1A1 (0.36) MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763729-B2 Bicyclic heteroaromatic derivatives UCB PHARMA S.A. (BE) 2010-07-27 US disclosed
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives CELLTECH R&D LIMITED (GB) 2009-02-12 US disclosed
US-7423047-B2 Arylamine substituted bicyclic heteroaromatic compounds as p38 kinase inhibitors CELLTECH R&D LIMITED (GB) 2008-09-09 US disclosed
US-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors UCB PHARMA S.A. (BE) 2006-01-05 US 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-20060004025-A1 Arylamine substututed bicyclic heteroaromatic compounds as p38 kinase inhibitors MAPK1, CNKSR1, ALK UCHL1 2918/4885UCHL3 2937/4885TGM2 4241/4885
US-20090042877-A1 Bicyclic Heteroaromatic Derivatives MAPK1, CNKSR1, CBR1 UCHL1 2444/4885UCHL3 2660/4885TGM2 4271/4885

“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.