SCHEMBL2500582

SCHEMBL2500582

COC(=O)c1cccc(Cn2nc(-c3ccc(Cl)cc3)n(CC(O)C(F)(F)F)c2=O)c1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 20/20 0.68
AVPR1A P37288 20/20 0.68
SLC6A2 P23975 1/20 0.57
OXTR P30559 1/20 0.57
OPRK1 P41145 1/20 0.57
AVPR1B P47901 1/20 0.57

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
SCHEMBL2516823 0.90 AVPR2 (0.61) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL2512459 0.89 AVPR2 (0.72) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL7916913 0.88 AVPR2 (0.66) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL6929159 0.86 AVPR2 (0.73) AVPR2AVPR1A
SCHEMBL6929168 0.84 AVPR2 (0.74) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL6926726 0.84 AVPR2 (0.74) AVPR2AVPR1ASLC6A2OXTROPRK1
SCHEMBL6929383 0.83 AVPR2 (0.70) AVPR2AVPR1A
SCHEMBL2506775 0.82 AVPR2 (0.64) AVPR2AVPR1A
SCHEMBL2442901 0.82 AVPR2 (0.62) AVPR2AVPR1A
SCHEMBL2438261 0.81 AVPR2 (0.49) AVPR2AVPR1A

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-2373632-B1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF BAYER IP GMBH (DE) 2015-03-04 EP disclosed
EP-2373632-B1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF BAYER IP GMBH (DE) 2015-03-04 EP disclosed
US-8859601-B2 Substituted benzyl and phenylsulfonyl triazolones, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-14 US disclosed
US-8859601-B2 Substituted benzyl and phenylsulfonyl triazolones, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-14 US disclosed
US-8859601-B2 Substituted benzyl and phenylsulfonyl triazolones, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-14 US disclosed
EP-2373632-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2011-10-12 EP disclosed
US-20110245308-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-06 US disclosed
WO-2010063402-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-10 WO disclosed
WO-2010063402-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-10 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-20110245308-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF CHUK, BRSK2, IKBKE AVPR2 4117/4885AVPR1A 4399/4885SLC6A2 2035/4885

“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.