SCHEMBL3447257

SCHEMBL3447257

CC(C)(C)OC(=O)NC(CNS(=O)(=O)NC(=O)O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPRB P23467 1/20 0.45
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ FAAH O00519 1/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.40
▸ JAK2 O60674 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATM Q13315 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ KCNQ3 O43525 1/20 0.39

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
SCHEMBL10217156 0.94 CA12 (0.47) PTPRBCA12CA1CA7CA14
SCHEMBL13158632 0.88 CA12 (0.43) PTPRBCA12CA1CA7CA14
SCHEMBL10216755 0.87 PTPRB (0.45) PTPRBFAAHNPSR1HTTLMNA
SCHEMBL10216752 0.86 PTPRB (0.45) PTPRBFAAHNPSR1ALDH1A1HTT
SCHEMBL20792320 0.81 FAAH (0.45) PTPRBFAAHNPSR1ALDH1A1KMT2A
SCHEMBL10217130 0.81 PTPRB (0.47) PTPRBFAAHNPSR1HTTLMNA
SCHEMBL10217058 0.81 HDAC1 (0.46) PTPRBFAAHNPSR1HTTLMNA
SCHEMBL10216747 0.81 FAAH (0.44) PTPRBFAAHNPSR1HTTLMNA
SCHEMBL30412448 0.80 CTSA (0.53) PTPRBFAAHNPSR1ATMRXFP1
SCHEMBL19283496 0.80 CTSA (0.53) PTPRBFAAHNPSR1ATMRXFP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796324-B2 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-05 — — US disclosed
US-20120238607-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-09-20 — — US disclosed
US-8202895-B2 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-19 — — US disclosed
CN-102438990-A Substituted 2-acetamido-5-aryl-1, 2, 4-triazolones and use thereof BAYER SCHERING PHARMA AG 2012-05-02 — — CN disclosed
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-14 — — 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 (2 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-20120238607-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF AADAC, NAT1, TNNT2 PTPRB 3973/4885CA12 4691/4885CA1 4421/4885
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF AADAC, NAT1, TNNT2 PTPRB 3973/4885CA12 4691/4885CA1 4421/4885

“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.

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