SCHEMBL5256485

SCHEMBL5256485

CCCCCCNS([O])(=O)=O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.67
CA2 P00918 5/20 0.61
CA1 P00915 4/20 0.61
EPHX1 P07099 3/20 0.59
CA12 O43570 2/20 0.56
CA7 P43166 2/20 0.56
CA14 Q9ULX7 2/20 0.56
CA9 Q16790 1/20 0.50
ADH1B P00325 1/20 0.48
ADH1C P00326 1/20 0.48
ADH1A P07327 1/20 0.48
ADH4 P08319 1/20 0.48
ADH7 P40394 1/20 0.48
RELA Q04206 4/20 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
SCHEMBL27500497 1.00 PPARA (0.67) PPARACA2CA1EPHX1CA12
SCHEMBL2882733 0.97 PPARA (0.62) PPARACA2CA1EPHX1CA12
SCHEMBL245387 0.89
SCHEMBL10892940 0.84 PPARA (0.91) PPARACA2CA1EPHX1CA12
SCHEMBL3792249 0.84 PPARA (0.91) PPARACA2CA1EPHX1CA12
SCHEMBL9285865 0.84 PPARA (0.91) PPARACA2CA1EPHX1CA12
SCHEMBL1704122 0.82 CA2 (0.65) PPARACA2CA1EPHX1CA12
SCHEMBL1726881 0.82 CA2 (0.65) PPARACA2CA1EPHX1CA12
SCHEMBL11326328 0.82 PPARA (0.64) PPARACA2CA1EPHX1CA12
SCHEMBL5696662 0.82 PPARA (0.64) PPARACA2CA1EPHX1CA12

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
EP-1221440-B1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators OTSUKA PHARMA CO LTD (JP) 2007-04-25 EP disclosed
US-6642223-B2 A benzoazepin or benzodiazepin derivatives, shows excellent anti-vasopressin activity, vasopressin agonistic activity and oxytocin antagonistic activity, and are useful as antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2003-11-04 US disclosed
EP-1221440-A1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators Otsuka Pharmaceutical Company, Limited (JP) 2002-07-10 EP disclosed
US-20020049194-A1 Benzoheterocyclic derivatives OGAWA HIDENORI (JP) 2002-04-25 US disclosed
US-6335327-B1 Benzoheterocyclic derivatives OTSUKA PHARMACEUTICALS CO., LTD. (JP) 2002-01-01 US disclosed
US-6096735-A Benzoheterocyclic derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 US disclosed
EP-0765314-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-02 EP disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 WO disclosed
EP-0255047-A1 3-Aryl uraciles and their use as herbicides CIBA-GEIGY AG (CH) 1988-02-03 EP 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-20020049194-A1 Benzoheterocyclic derivatives AVPR2, AVPR1A, AVPR1B PPARA 1652/4885CA2 1161/4885CA1 1348/4885

“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.