SCHEMBL10216957

SCHEMBL10216957

CC(C)(C)OC(=O)NC(CO)c1cccc(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 3/20 0.43
▸ CTSK P43235 3/20 0.43
▸ ROCK2 O75116 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SCN9A Q15858 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ ATM Q13315 2/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ AAK1 Q2M2I8 1/20 0.38
▸ MITF O75030 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL25445027 0.89 CTSS (0.47) CTSSCTSKROCK2ROCK1ALDH1A1
SCHEMBL29770841 0.89 CTSS (0.47) CTSSCTSKROCK2ROCK1ALDH1A1
SCHEMBL12480409 0.87 NPSR1 (0.41) CTSSCTSKALDH1A1NPSR1TSHR
SCHEMBL30146902 0.87 NPSR1 (0.41) CTSSCTSKALDH1A1NPSR1TSHR
SCHEMBL10217257 0.87 NPSR1 (0.41) CTSSCTSKALDH1A1NPSR1TSHR
SCHEMBL30483968 0.87 NPSR1 (0.41) CTSSCTSKALDH1A1NPSR1TSHR
SCHEMBL17446557 0.85 CTSS (0.48) CTSSCTSKROCK2ROCK1ALDH1A1
SCHEMBL17040320 0.82 CTSK (0.43) CTSSCTSKNPSR1TSHRLMNA
SCHEMBL3447506 0.80 CTSS (0.44) CTSSCTSKATMPTPN1
SCHEMBL5673122 0.80 ALDH1A1 (0.40) CTSKALDH1A1NPSR1TSHRPOLB

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-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-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 CTSS 2576/4885CTSK 755/4885ROCK2 2793/4885
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF AADAC, NAT1, TNNT2 CTSS 2576/4885CTSK 755/4885ROCK2 2793/4885

“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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