SCHEMBL5035539

SCHEMBL5035539

Cc1[nH]c(C(=O)O)c(C)c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 5/20 0.46
PTK2 Q05397 1/20 0.42
ALDH1A1 P00352 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
ATM Q13315 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 3/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
MCL1 Q07820 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2915910 0.82 GPR35 (0.46) GPR35PTK2ALDH1A1CYP1A2CYP3A4
SCHEMBL401252 0.78 HCAR2 (0.38) GPR35PTK2ALDH1A1CYP1A2CYP3A4
SCHEMBL3156800 0.78 CYP1A2 (0.54) GPR35PTK2ALDH1A1CYP1A2CYP3A4
SCHEMBL14011276 0.77 NPSR1 (0.50) ALDH1A1CYP1A2LMNAHPGDMEN1
SCHEMBL14011277 0.75 CYP1A2 (0.34) CYP1A2CYP3A4ATMHPGDCYP2C9
SCHEMBL31495905 0.75 GPR35 (0.45) GPR35PTK2ALDH1A1CYP1A2CYP3A4
SCHEMBL5513393 0.74 ALDH1A1 (0.63) ALDH1A1CYP1A2CYP3A4LMNAHPGD
SCHEMBL399721 0.74 HCAR2 (0.38) GPR35ALDH1A1CYP1A2CYP3A4
SCHEMBL13330260 0.74 GPR35 (0.40) GPR35ALDH1A1CYP1A2CYP3A4LMNA
SCHEMBL399174 0.74 ATM (0.49) GPR35PTK2ALDH1A1ATMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465806-B2 Pyrrole-derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-12-16 US disclosed
WO-2007145349-A2 SUBSTITUTED PYRROLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-12-21 WO disclosed
CN-1926137-A Pyrrole-derivatives as factor Xa inhibitors SANOFI AVENTIS DEUTSCHLAND (DE) 2007-03-07 CN disclosed
US-20070049573-A1 Pyrrole-Derivatives as Factor Xa Inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-03-01 US disclosed
EP-1725550-A2 PYRROLE-DERIVATIVES AS FACTOR XA INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-11-29 EP disclosed
WO-2005085239-A2 PYRROLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-09-15 WO disclosed
US-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-05-12 US disclosed
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP disclosed
US-3966739-A ADRENOLYTIC, HYPOTENSIVE, SEDATIVE, ANTISEROTONINIC SOCIETA' FARMACEUTICI ITALIA S.P.A. (IT) 1976-06-29 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-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative SHBG, PRLHR, FSHR GPR35 88/4885PTK2 4001/4885ALDH1A1 2144/4885
US-20070049573-A1 Pyrrole-Derivatives as Factor Xa Inhibitors F12, F2, F5 GPR35 4380/4885PTK2 1908/4885ALDH1A1 2353/4885

“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.