SCHEMBL6774397

SCHEMBL6774397

Cc1ccc(-c2ccccc2)cc1COS(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.36
DCLRE1A Q6PJP8 1/20 0.36
DCLRE1B Q9H816 1/20 0.36
TNKS2 Q9H2K2 1/20 0.36
PTGER4 P35408 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
ACLY P53396 2/20 0.35
CYP1A2 P05177 2/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGS1 P23219 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
SCHEMBL6306370 0.80 NR1H2 (0.43) ACLYNPSR1PTGS2
SCHEMBL6489248 0.79 HPGD (0.42) KDM4EGAAMAPTHPGDACLY
SCHEMBL5643020 0.78 TAAR1 (0.44) KDM4EGAAHPGDHTTCA1
SCHEMBL19974316 0.78 MAOB (0.44) GAACYP1A2CYP3A4CYP2D6PTGS1
Hydrogen Sulfide SCHEMBL27764015 0.76 MAOB (0.42) GAACYP1A2CYP3A4CYP2D6PTGS1
SCHEMBL6286312 0.76 IDO1 (0.52) GAAHTTPTGS1CA1CA2
SCHEMBL6860785 0.74 AGXT (0.46) KDM4EGAAMAPTHPGDMRGPRX4
SCHEMBL18779298 0.74 FFAR1 (0.39) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5273095 0.73 CYP1A2 (0.41) KDM4EHPGDCYP1A2HTTNPSR1
SCHEMBL5035784 0.72 CYP19A1 (0.54) MAPTCYP1A2HTTNPSR1CYP3A4

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-20040167193-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-26 US disclosed
US-6762197-B2 FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-13 US disclosed
US-20030119670-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-06-26 US disclosed
EP-1238975-A1 DIFLUOROMETHYLTRIAZOLONE COMPOUNDS, USE OF THE SAME AND INTERMEDIATES FOR THE PRODUCTION THEREOF Sumitomo Chemical Company, Limited (JP) 2002-09-11 EP 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-20040167193-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof CYP51A1, DPM1, CYP1A1 KDM4E 711/4885GAA 1114/4885MAPT 604/4885
US-20030119670-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof CYP51A1, DPM1, CYP1A1 KDM4E 711/4885GAA 1114/4885MAPT 604/4885

“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.