SCHEMBL7798253

SCHEMBL7798253

CS(=O)(=O)c1ccc(-c2[nH]c(-c3ccccn3)nc2C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 2/20 0.56
ALDH1A1 P00352 2/20 0.52
HSP90AA1 P07900 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SCD O00767 1/20 0.52
PTGS2 P35354 4/20 0.49
PTGS1 P23219 2/20 0.46
MAPK14 Q16539 2/20 0.46
ALOX5 P09917 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CSNK1D P48730 1/20 0.46
CSNK1E P49674 1/20 0.46
MAPK11 Q15759 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CSNK1A1L Q8N752 1/20 0.46
IDO1 P14902 1/20 0.44

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
SCHEMBL5500317 0.84 SCD (0.54) ALDH1A1SCDPTGS2PTGS1MAPK14
SCHEMBL5597148 0.84 PTGS2 (0.50) ALDH1A1PTGS2PTGS1MAPK14ALOX5
SCHEMBL5144240 0.79 MAPK14 (0.51) ALDH1A1SCDMAPK14ALOX5CSNK1A1
SCHEMBL6440993 0.79 PTGS2 (0.52) ALDH1A1PTGS2PTGS1MAPK14ALOX5
SCHEMBL5597237 0.78 PTGS2 (0.54) ALDH1A1SCDPTGS2PTGS1MAPK14
SCHEMBL8796678 0.77 SCD (0.52) ALDH1A1HTTKMT2ANPSR1SCD
SCHEMBL6448446 0.77 MAPK14 (0.64) ALDH1A1PTGS2PTGS1MAPK14ALOX5
SCHEMBL6465182 0.76 SCD (0.56) ALDH1A1SCDPTGS2PTGS1MAPK14
SCHEMBL5501473 0.75 PTGS2 (0.50) ALDH1A1SCDPTGS2PTGS1MAPK14
SCHEMBL8885677 0.75 PTGS2 (0.54) PTGS2PTGS1MAPK14ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5700816-A ANTIARTHRITIC AGENTS G.D. SEARLE & CO. 1997-12-23 US claimed
US-20010031757-A1 Method for treating inflammatory diseases by administering a thrombin inhibitor SHAFER JULES (US) 2001-10-18 US disclosed
US-5700816-A ANTIARTHRITIC AGENTS G.D. SEARLE & CO. 1997-12-23 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 (1 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-20010031757-A1 Method for treating inflammatory diseases by administering a thrombin inhibitor PTGIS, PTMS, PTGS1 CBFB 4320/4885ALDH1A1 2245/4885HSP90AA1 2844/4885

“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.