SCHEMBL3887912

SCHEMBL3887912

O=Cc1sc(C(=O)O)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DAO P14920 8/20 0.41
GPR35 Q9HC97 3/20 0.41
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTPN2 P17706 2/20 0.36
GSK3B P49841 2/20 0.36
BCL2L1 Q07817 1/20 0.36
ALAD P13716 1/20 0.33
TTR P02766 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL2557224 0.82 PTPN2 (0.41) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL2064339 0.76 DAO (0.59) DAOGPR35ALDH1A1KDM4EMAPT
SCHEMBL899479 0.74 GSK3B (0.61) DAOGPR35ALDH1A1KDM4EMAPT
SCHEMBL2064966 0.73 DAO (0.41) DAOGPR35ALDH1A1KDM4EMAPT
SCHEMBL6305183 0.72
Hydrochloric Acid SCHEMBL8935203 0.72 GSK3B (0.59) DAOGPR35ALDH1A1KDM4EMAPT
Bromide SCHEMBL8935164 0.72 GSK3B (0.59) DAOGPR35ALDH1A1KDM4EMAPT
SCHEMBL25365859 0.71 DAO (0.43) DAOGPR35ALDH1A1KDM4EMAPT
SCHEMBL1529502 0.71 DAO (0.63) DAOGPR35ALDH1A1KDM4EMAPT
SCHEMBL28891536 0.71 DAO (0.43) DAOGPR35ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048258-A1 Amide Compound TAKEDA, PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
US-7485661-B2 Heterobicyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-02-03 US disclosed
EP-1534716-B1 HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-04-23 EP disclosed
EP-1845081-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-17 EP disclosed
US-20060160874-A1 Heterobicyclic pyrazole derivatives as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2006-07-20 US disclosed
EP-1534716-A1 HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2005-06-01 EP disclosed
WO-2004007504-A1 HETEROBICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2004-01-22 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-20060160874-A1 Heterobicyclic pyrazole derivatives as kinase inhibitors MAP2K2, MAP3K15, MAP3K5 DAO 2287/4885GPR35 1563/4885ALDH1A1 3709/4885
US-20090048258-A1 Amide Compound DLAT, DGAT1, DGAT2 DAO 1077/4885GPR35 904/4885ALDH1A1 435/4885

“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.