SCHEMBL2201213

SCHEMBL2201213

CN(C)c1cccc2c(S(=O)(=O)NC(=O)c3ccc(C(=O)C(F)(F)F)s3)cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
NLRP3 Q96P20 1/20 0.45
EDNRA P25101 5/20 0.45
HDAC6 Q9UBN7 4/20 0.44
HDAC1 Q13547 4/20 0.44
HDAC3 O15379 2/20 0.44
CYP2C9 P11712 1/20 0.44
HTR7 P34969 1/20 0.44
CA2 P00918 2/20 0.43
CA1 P00915 1/20 0.43
HDAC4 P56524 3/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NSD2 O96028 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL2199975 0.83 HDAC1 (0.57) F2PRSS1PRSS2PRSS3HDAC6
SCHEMBL2200241 0.78 HDAC6 (0.50) HDAC6HDAC1HDAC3CYP2C9CA2
SCHEMBL2200633 0.77 HDAC6 (0.50) HDAC6HDAC1HDAC3CYP2C9HDAC4
SCHEMBL2201932 0.74 HDAC6 (0.48) HDAC6HDAC1HDAC3CYP2C9HDAC4
SCHEMBL2202203 0.73 HDAC6 (0.56) HDAC6HDAC1HDAC3CYP2C9HDAC4
SCHEMBL10223853 0.72 F2 (0.52) F2PRSS1PRSS2PRSS3NLRP3
SCHEMBL3939454 0.71 F2 (0.64) F2PRSS1PRSS2PRSS3NLRP3
SCHEMBL17423939 0.70 HDAC1 (0.58) F2PRSS1PRSS2PRSS3NLRP3
SCHEMBL4950950 0.70 EDNRA (0.56) F2PRSS1PRSS2PRSS3NLRP3
SCHEMBL3939460 0.70 F2 (0.59) F2PRSS1PRSS2PRSS3NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926721-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-05-04 EP claimed
EP-1926721-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-05-04 EP disclosed
US-7977374-B2 Thiophene and thiazole substituted trifluoroethanone derivatives as histone deacetylase (HDAC) inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2011-07-12 US disclosed
US-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors MSD ITALIA S.R.L. (IT) 2009-06-18 US disclosed
EP-1926721-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2008-06-04 EP disclosed
WO-2007029035-A2 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 WO 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-20090156591-A1 Thiophene and Thiazole Substituted trifluoroethanone Derivatives as Histone Deacetylase (Hdac) Inhibitors HDAC1, HDAC2, HDAC11 F2 4197/4885PRSS1 852/4885PRSS2 665/4885

“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.