SCHEMBL2919701

SCHEMBL2919701

Cc1cc(C)c(S(=O)(=O)F)cc1-n1nc(C(F)(F)F)nc1N

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.31
PTGS2 P35354 3/20 0.31
PTGES O14684 2/20 0.31
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 2/20 0.30
TSHR P16473 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HDAC3 O15379 1/20 0.30
PDPK1 O15530 1/20 0.30
PDE5A O76074 1/20 0.30
ABCB11 O95342 1/20 0.30
MT-CO2 P00403 1/20 0.30
LMNA P02545 1/20 0.30
CA3 P07451 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX5 P09917 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL2917940 0.91 PTGS2 (0.32) PTGS1PTGS2
SCHEMBL2919911 0.91 PTGS2 (0.31) PTGS2
SCHEMBL2920106 0.90 PTGS1 (0.30) PTGS1PTGS2
SCHEMBL2919762 0.89 PTGS2 (0.31) PTGS1PTGS2
SCHEMBL2910921 0.89 PTGS2 (0.31) PTGS1PTGS2
Fluoride SCHEMBL27952879 0.89 BRD4 (0.33)
SCHEMBL2912724 0.88
SCHEMBL2920358 0.88
SCHEMBL2922959 0.86 CYP17A1 (0.30)
SCHEMBL2912264 0.86 CYP17A1 (0.30)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8648207-B2 Aryl (1H-1,2,4-triazol-1-yl) compound, and process for production thereof IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2014-02-11 US disclosed
US-8440838-B2 Aryl (1H-1,2,4-triazol-1-yl) compound and process for production thereof IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2013-05-14 US disclosed
US-20130023666-A1 ARYL (1H-1,2,4-TRIAZOL-1-YL) COMPOUND, AND PROCESS FOR PRODUCTION THEREOF IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2013-01-24 US disclosed
US-20100256386-A1 ARYL (1H-1,2,4-TRIAZOL-1-YL) COMPOUND AND PROCESS FOR PRODUCTION THEREOF IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2010-10-07 US disclosed
EP-2226317-A1 ARYL (1H-1,2,4-TRIAZOL-1-YL) COMPOUND, AND PROCESS FOR PRODUCTION THEREOF IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2010-09-08 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-20100256386-A1 ARYL (1H-1,2,4-TRIAZOL-1-YL) COMPOUND AND PROCESS FOR PRODUCTION THEREOF CYP1A1, CYP2S1, NAT1 PTGS1 1852/4885PTGS2 2964/4885PTGES 2703/4885
US-20130023666-A1 ARYL (1H-1,2,4-TRIAZOL-1-YL) COMPOUND, AND PROCESS FOR PRODUCTION THEREOF CYP1B1, CYP1A1, AOC3 PTGS1 911/4885PTGS2 1411/4885PTGES 1999/4885

“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.