SCHEMBL2511673

SCHEMBL2511673

COc1cc(C(=O)O)ccc1Cn1nc(-c2ccc(Cl)cc2)n(C2CC2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.44
AVPR1A P37288 5/20 0.44
PRKG1 Q13976 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
MCHR1 Q99705 1/20 0.40
HSD11B1 P28845 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PLA2G4A P47712 2/20 0.38
LTB4R Q15722 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
TTR P02766 1/20 0.38
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37

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
SCHEMBL2504102 0.92 AVPR2 (0.41) AVPR2AVPR1AMEN1KMT2AMCHR1
SCHEMBL2500560 0.89 AVPR2 (0.41) AVPR2AVPR1AMEN1KMT2AMCHR1
SCHEMBL2510281 0.88 AVPR2 (0.47) AVPR2AVPR1ANR1H4SMN1; SMN2
Bicarbonate SCHEMBL16530565 0.86 KDM4E (0.47) AVPR2AVPR1AMEN1KMT2ASMN1; SMN2
SCHEMBL2513250 0.81 AVPR2 (0.50) AVPR2AVPR1AMEN1KMT2AMCHR1
SCHEMBL2513091 0.78 AVPR2 (0.43) AVPR2AVPR1ASMN1; SMN2
SCHEMBL2514889 0.77 AVPR2 (0.43) AVPR2AVPR1AHSD11B1SMN1; SMN2
SCHEMBL2501859 0.76 AVPR2 (0.42) AVPR2AVPR1AMEN1KMT2ASMN1; SMN2
SCHEMBL2435923 0.75 AVPR2 (0.44) AVPR2AVPR1A
SCHEMBL8739481 0.73 AVPR2 (0.44) AVPR2AVPR1AMEN1KMT2ASMN1; SMN2

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 7 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
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

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 4399/4885PRKG1 937/4885

“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.