SCHEMBL10217106

SCHEMBL10217106

CCS(=O)(=O)NCC(NC(=O)OC(C)(C)C)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ ATM Q13315 3/20 0.40
▸ HPGD P15428 5/20 0.39
▸ HTT P42858 5/20 0.39
▸ NPSR1 Q6W5P4 5/20 0.39
▸ HSD17B10 Q99714 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ LMNA P02545 4/20 0.39
▸ PKM P14618 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ XBP1 P17861 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ADRB2 P07550 2/20 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
SCHEMBL10216785 0.91 AVPR2 (0.45) SYKCA12CA1CA7CA14
SCHEMBL10217111 0.89 CA12 (0.41) SYKCA12CA1CA7CA14
SCHEMBL12522768 0.87 LMNA (0.43) SYKCA12CA1CA7CA14
SCHEMBL10216767 0.84 AVPR2 (0.45) SYKCA12CA1CA7CA14
SCHEMBL3447140 0.83 CTSA (0.44) ATMHTTNPSR1ALDH1A1LMNA
SCHEMBL10217116 0.82 HPGD (0.41) CA12CA1CA7CA14ATM
SCHEMBL10216878 0.81 CTSS (0.42) ATMHPGDHTTNPSR1HSD17B10
SCHEMBL31444515 0.81 CTSS (0.42) ATMHPGDHTTNPSR1HSD17B10
SCHEMBL13306842 0.81 CTSS (0.42) ATMHPGDHTTNPSR1HSD17B10
SCHEMBL10217095 0.81 ATM (0.43) SYKATMLMNAKMT2AADRB2

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 8 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-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 SYK 1715/4885CA12 4691/4885CA1 4421/4885
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF AADAC, NAT1, TNNT2 SYK 1715/4885CA12 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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