SCHEMBL656210

SCHEMBL656210

CS(=O)(=O)Nc1ccc(N)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.63
CA2 P00918 2/20 0.63
CA9 Q16790 2/20 0.63
CA12 O43570 1/20 0.63
KEAP1 Q14145 2/20 0.60
ALDH1A1 P00352 3/20 0.59
HTT P42858 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 1/20 0.59
LMNA P02545 1/20 0.59
HPGD P15428 1/20 0.59
KIF11 P52732 2/20 0.55
PGR P06401 1/20 0.52
MAPT P10636 2/20 0.50
NR3C2 P08235 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
Hydrochloric Acid SCHEMBL1530083 0.98 CA1 (0.61) CA1CA2CA9CA12KEAP1
SCHEMBL28046255 0.94 CA1 (0.57) CA1CA2CA9CA12KEAP1
SCHEMBL2497654 0.94 KIF11 (0.66) CA1CA2CA9CA12KEAP1
SCHEMBL9387480 0.92 KEAP1 (0.76) CA1CA2CA9CA12KEAP1
SCHEMBL28119379 0.90 CA1 (0.53) CA1CA2CA9CA12KEAP1
SCHEMBL27516685 0.88 CA1 (0.71) CA1CA2CA9CA12KEAP1
SCHEMBL12054668 0.87 KEAP1 (0.75) CA1CA2CA9CA12KEAP1
P-Cresol SCHEMBL11694488 0.84 CA1 (0.50) CA1CA2CA9CA12KEAP1
SCHEMBL27966229 0.82 LMNA (0.73) CA1CA2CA9CA12ALDH1A1
SCHEMBL5893940 0.81 CA12 (0.63) CA1CA2CA9CA12KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US claimed
EP-2340021-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2012-11-07 EP claimed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US claimed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US claimed
WO-2010031713-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO claimed
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides DING QINGJIE 2010-03-25 US claimed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP claimed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-0757677-B1 BENZOCYCLOHEXYLIMIDAZOLETHIONE DERIVATIVES SYNTEX LLC (US) 2003-06-18 EP claimed
US-5719280-A REACTING AMINE SUBSTITUTED BENZOCYCLOALKANE WITH DIALKYLOXYACETALDEHYDE IN PRESENCE OF REDUCING AGENT OR CATALYTIC HYDROGENATION, TREATING WITH THIOCYANIC ACID SYNTEX (U.S.A.) INC. (US) 1998-02-17 US claimed
EP-0757677-A1 BENZOCYCLOALKYLAZOLETHIONE DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1997-02-12 EP claimed
US-5538988-A CARDIOVASCULAR DISORDERS AND DOPAMINE HYDROLASE ENZYME INHIBITORS SYNTEX (U.S.A.) INC. 1996-07-23 US claimed
WO-1995029165-A2 BENZOCYCLOALKYLAZ0LETHIONE DERIVATIVES AS DOPAMIN BETA-HYDROXYLASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1995-11-02 WO claimed
EP-0087951-B1 PHENANTHROLINE DERIVATIVES DEVELOPMENT FINANCE CORPORATION OF NEW ZEALAND (NZ) 1989-09-13 EP claimed
US-4474961-A ANTITUMOR AGENT DEVELOPMENT FINANCE CORPORATION OF NEW ZEALAND (NZ) 1984-10-02 US claimed
EP-0087951-A2 Phenanthroline derivatives DEVELOPMENT FINANCE CORPORATION OF NEW ZEALAND (NZ) 1983-09-07 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS CA1 3622/4885CA2 2641/4885CA9 4374/4885
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 CA1 3387/4885CA2 1999/4885CA9 1727/4885
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 CA1 3387/4885CA2 1999/4885CA9 1727/4885

“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.