SCHEMBL10216773

SCHEMBL10216773

CC(C)(C)OC(=O)NC(CNS(C)(=O)=O)c1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AVPR2 P30518 3/20 0.46
▸ AVPR1A P37288 3/20 0.46
▸ LMNA P02545 6/20 0.43
▸ POLB P06746 1/20 0.43
▸ HPGD P15428 6/20 0.41
▸ HTT P42858 6/20 0.41
▸ NPSR1 Q6W5P4 6/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ PKM P14618 4/20 0.41
▸ XBP1 P17861 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA14 Q9ULX7 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
SCHEMBL10216767 0.90 AVPR2 (0.45) AVPR2AVPR1ALMNAPOLBHPGD
SCHEMBL13158480 0.88 AVPR2 (0.38) AVPR2AVPR1ALMNAPOLBHPGD
SCHEMBL10217129 0.86 LMNA (0.47) AVPR2AVPR1ALMNAPOLBHPGD
SCHEMBL10270827 0.85 LMNA (0.44) LMNAHPGDHTTNPSR1ALDH1A1
SCHEMBL3448694 0.84 CNR2 (0.46) AVPR2AVPR1APOLBHPGDTSHR
SCHEMBL10217111 0.84 CA12 (0.41) AVPR2AVPR1ALMNAHPGDHTT
SCHEMBL10216855 0.83 LMNA (0.48) AVPR2AVPR1ALMNAPOLBHPGD
SCHEMBL10216766 0.82 LMNA (0.47) AVPR2AVPR1ALMNAPOLBHPGD
SCHEMBL10217086 0.82 LMNA (0.47) AVPR2AVPR1ALMNAPOLBNPSR1
SCHEMBL19265304 0.82 AVPR2 (0.46) AVPR2AVPR1ALMNAPOLBHPGD

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-2408751-B1 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER IP GMBH (DE) 2017-08-23 — — EP disclosed
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-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-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
US-8202895-B2 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-19 — — US 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
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 AVPR2 2370/4885AVPR1A 3230/4885LMNA 726/4885
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF AADAC, NAT1, TNNT2 AVPR2 2370/4885AVPR1A 3230/4885LMNA 726/4885

“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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