SCHEMBL3448694

SCHEMBL3448694

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.46
▸ CTSA P10619 6/20 0.39
▸ MMP7 P09237 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ACP3 P15309 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ AVPR2 P30518 1/20 0.38
▸ AVPR1A P37288 1/20 0.38
▸ CTSS P25774 1/20 0.37
▸ MC4R P32245 1/20 0.37
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3446813 0.89 CNR2 (0.45) CNR2CTSAMMP7CYP1A2CYP3A4
SCHEMBL10216773 0.84 AVPR2 (0.46) CNR2MMP7TSHRPOLBMAPK1
SCHEMBL3446092 0.84 CNR2 (0.48) CNR2CTSACYP1A2CYP3A4CYP2C9
SCHEMBL3447391 0.80 CTSA (0.44) CTSA
SCHEMBL13158480 0.80 AVPR2 (0.38) CNR2MMP7CYP1A2CYP3A4CYP2C9
SCHEMBL3447296 0.79 CNR2 (0.54) CNR2CTSACYP1A2CYP3A4CYP2C9
SCHEMBL27865868 0.79 CNR2 (0.42) CNR2MMP7CYP1A2CYP3A4CYP2C9
SCHEMBL3449299 0.79 CNR2 (0.50) CNR2CTSACYP1A2CYP3A4CYP2C9
SCHEMBL167117 0.78 CNR2 (0.52) CNR2CTSACYP1A2CYP3A4CYP2C9
SCHEMBL10216817 0.78 MC4R (0.41) CNR2MMP7CYP1A2CYP3A4TSHR

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 4 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
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 CNR2 1602/4885CTSA 266/4885MMP7 3140/4885
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF AADAC, NAT1, TNNT2 CNR2 1602/4885CTSA 266/4885MMP7 3140/4885

“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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