SCHEMBL405828

SCHEMBL405828

O=Cc1ccc(-c2ccc(CO)s2)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 1/20 0.50
GLA P06280 1/20 0.50
KMT2A Q03164 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
DPP4 P27487 3/20 0.49
CYP2A6 P11509 2/20 0.42
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42
APP P05067 1/20 0.41
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39

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
SCHEMBL8570131 0.98 DPP4 (0.51) MAPTALDH1A1HPGDMEN1GLA
SCHEMBL8185448 0.88
SCHEMBL8827077 0.82 MAPT (0.41) MAPTALDH1A1HPGDMEN1GLA
SCHEMBL8572801 0.81 MEN1 (0.70) MAPTALDH1A1HPGDMEN1GLA
SCHEMBL278904 0.81 DPP4 (0.65) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL10144207 0.81 DPP4 (0.49) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL774352 0.81 DPP4 (0.49) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL10020289 0.79 DPP4 (0.51) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL607254 0.79 DPP4 (0.69) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL8576605 0.79 DPP4 (0.69) MAPTALDH1A1HPGDMEN1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2868313-B2 1999-03-10 JP claimed
EP-0454511-B1 N-substituted heterocycle derivatives, their preparation, compositions containing them SANOFI SA (FR) 1998-06-17 EP claimed
EP-0562936-A1 Imidazolines N-substituted by a biphenylmethyl group, their preparation, the pharmaceutical compositions containing them SANOFI (FR) 1993-09-29 EP claimed
EP-0501892-A1 Diazotized heterocyclic derivatives N-substituted by a biphenylmethyl group, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-09-02 EP claimed
EP-0454511-A1 N-substituted heterocycle derivatives, their preparation, compositions containing them SANOFI (FR) 1991-10-30 EP claimed
WO-1991014679-A1 HETEROCYCLIC N-SUBSTITUTED DERIVATIVES, THEIR PREPARATION AND THEPHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (FR) 1991-10-03 WO claimed
EP-2595975-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX Corning Incorporated (US) 2013-05-29 EP disclosed
US-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX CORNING INCORPORATED 2012-01-26 US disclosed
US-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX CORNING INCORPORATED 2012-01-26 US disclosed
US-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX CORNING INCORPORATED 2012-01-26 US disclosed
WO-2012012278-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX CORNING INCORPORATED (US) 2012-01-26 WO disclosed
WO-2012012278-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX CORNING INCORPORATED (US) 2012-01-26 WO disclosed
EP-1007035-A4 POLYTHIOPHENE ANTI-TUMOR AGENTS PURDUE RESEARCH FOUNDATION (US) 2000-11-22 EP disclosed
EP-0562936-A1 Imidazolines N-substituted by a biphenylmethyl group, their preparation, the pharmaceutical compositions containing them SANOFI (FR) 1993-09-29 EP disclosed
EP-0519831-A1 N-Substituted heterocyclic derivatives, their preparation, and pharmaceutical compositions containing them SANOFI (FR) 1992-12-23 EP disclosed
EP-0501892-A1 Diazotized heterocyclic derivatives N-substituted by a biphenylmethyl group, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-09-02 EP disclosed
EP-0501892-A1 Diazotized heterocyclic derivatives N-substituted by a biphenylmethyl group, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-09-02 EP disclosed
EP-0454511-A1 N-substituted heterocycle derivatives, their preparation, compositions containing them SANOFI (FR) 1991-10-30 EP disclosed
WO-1991014679-A1 HETEROCYCLIC N-SUBSTITUTED DERIVATIVES, THEIR PREPARATION AND THEPHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (FR) 1991-10-03 WO disclosed
WO-1991014679-A1 HETEROCYCLIC N-SUBSTITUTED DERIVATIVES, THEIR PREPARATION AND THEPHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI (FR) 1991-10-03 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 (1 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-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX GPR35, GPR65, GPR68 MAPT 3699/4885ALDH1A1 1572/4885HPGD 1017/4885

“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.