SCHEMBL167117

SCHEMBL167117

NCC(NC(=O)O)c1ccccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.52
▸ ACP3 P15309 1/20 0.43
▸ CTSA P10619 6/20 0.43
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ POLB P06746 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ CACNA2D1 P54289 1/20 0.39
▸ CACNA1B Q00975 1/20 0.39
▸ CACNB1 Q02641 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ EPHX2 P34913 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
SCHEMBL3447296 0.86 CNR2 (0.54) CNR2ACP3CTSACYP1A2CYP3A4
SCHEMBL3447410 0.84 CNR2 (0.51) CNR2ACP3CTSACYP1A2CYP3A4
SCHEMBL3449299 0.82 CNR2 (0.50) CNR2ACP3CTSACYP1A2CYP3A4
SCHEMBL10216766 0.81 LMNA (0.47) CNR2TSHRPOLBMAPK1LMNA
SCHEMBL3446534 0.80 CNR2 (0.48) CNR2ACP3CTSACYP1A2CYP3A4
SCHEMBL3446529 0.80 CNR2 (0.48) CNR2ACP3CTSACYP1A2CYP3A4
SCHEMBL3446092 0.80 CNR2 (0.48) CNR2ACP3CTSACYP1A2CYP3A4
SCHEMBL3447362 0.80 CNR2 (0.48) CNR2ACP3CTSACYP1A2CYP3A4
SCHEMBL3448694 0.78 CNR2 (0.46) CNR2ACP3CTSACYP1A2CYP3A4
SCHEMBL3446813 0.77 CNR2 (0.45) CNR2ACP3CTSACYP1A2CYP3A4

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
US-9180120-B2 Substituted N-phenethyltriazoloneacetamides and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-10 — — US disclosed
EP-2619188-B1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER IP GMBH (DE) 2015-05-06 — — 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-20130225646-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-29 — — US disclosed
EP-2619188-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2013-07-31 — — EP 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
WO-2012028644-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-08 — — WO 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 (3 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 CNR2 1602/4885ACP3 1088/4885CTSA 266/4885
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF AADAC, NAT1, TNNT2 CNR2 1602/4885ACP3 1088/4885CTSA 266/4885
US-20130225646-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF TNNT2, TNNI3, PNMT CNR2 2040/4885ACP3 2034/4885CTSA 76/4885

“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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