SCHEMBL3878089

SCHEMBL3878089

CNS(=O)(=O)c1ccc(OC)c(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.62
TSHR P16473 1/20 0.57
APEX1 P27695 1/20 0.52
NLRP3 Q96P20 1/20 0.50
KDM4E B2RXH2 2/20 0.49
POLB P06746 1/20 0.49
ALDH1A1 P00352 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL3880159 0.88 ALDH1A1 (0.52) MAPK1NLRP3KDM4EALDH1A1CA1
SCHEMBL11460936 0.84 MAPK1 (0.69) MAPK1TSHRAPEX1ALDH1A1
SCHEMBL3873090 0.84 MAPK1 (0.56) MAPK1TSHRKDM4EALDH1A1
SCHEMBL13545228 0.84 NLRP3 (0.50) MAPK1TSHRNLRP3ALDH1A1CA1
SCHEMBL13543282 0.84 NLRP3 (0.47) MAPK1TSHRNLRP3ALDH1A1CA1
SCHEMBL3874483 0.84 MAPK1 (0.46) MAPK1TSHRKDM4EPOLBALDH1A1
SCHEMBL5038257 0.83 S1PR3 (0.53) MAPK1TSHRNLRP3POLB
SCHEMBL1813497 0.82 TNNI3K (0.47) MAPK1TSHRKDM4EPOLB
SCHEMBL987275 0.82 LMNA (0.60) MAPK1TSHRAPEX1KDM4EPOLB
SCHEMBL10722381 0.81 GAA (0.55) MAPK1TSHRNLRP3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
EP-1848694-B1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 HOFFMANN LA ROCHE (CH) 2009-11-25 EP disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
US-5246942-A Central nervous system, anti-emetic and gastric prokinetic activity RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1993-09-21 US disclosed
EP-0494140-A4 DIBENZOFURANCARBOXAMIDES 1992-09-02 EP disclosed
EP-0494140-A1 DIBENZOFURANCARBOXAMIDES RORER INTERNATIONAL (HOLDINGS), INC. (US) 1992-07-15 EP disclosed
WO-1991004738-A1 DIBENZOFURANCARBOXAMIDES RORER INTERNATIONAL (HOLDINGS), INC. (US) 1991-04-18 WO disclosed
US-4959485-A 5-HT3 ANTAGONISTS RORER PHARMACEUTICAL CORPORATION (US) 1990-09-25 US disclosed
US-4935511-A Nervous system, gastrointestinal disorders RORER PHARMACEUTICAL CORPORATION (US) 1990-06-19 US disclosed
WO-1989010364-A1 DIBENZOFURANCARBOXAMIDES RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-11-02 WO disclosed
EP-0339950-A2 Dibenzofurancarboxamides, their use as pharmaceutical agents, a composition containing the same, and a process for the preparation thereof RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1989-11-02 EP disclosed
US-4863921-A Dibenzofurancarboxamides and their pharmaceutical compositions and methods RORER PHARMACEUTICAL CORPORATION (US) 1989-09-05 US disclosed
US-4816471-A NERVOUS SYSTEM DISORDERS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILLE-DE FRANCE (FR) 1989-03-28 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 (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-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES CYP2B6, CYP2D6, CYP1A2 MAPK1 2206/4885TSHR 1683/4885APEX1 1977/4885

“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.