SCHEMBL2203386

SCHEMBL2203386

O=C(c1ccc(C(=O)C(F)(F)F)s1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 12/20 0.67
CHRM1 P11229 5/20 0.62
MAPK1 P28482 2/20 0.58
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.58
ALDH1A1 P00352 1/20 0.53
CHRM2 P08172 1/20 0.51
CHRM4 P08173 1/20 0.51
CHRM5 P08912 1/20 0.51
CHRM3 P20309 1/20 0.51

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
SCHEMBL22588045 0.78 HSD11B1 (1.00) HSD11B1CHRM1MAPK1LMNAHTT
SCHEMBL4777481 0.76 L3MBTL1 (0.61) LMNAHTTALDH1A1CHRM4
SCHEMBL22605797 0.76 HSD11B1 (0.65) HSD11B1CHRM1MAPK1LMNAHTT
SCHEMBL1833332 0.76 HSD11B1 (0.68) HSD11B1CHRM1MAPK1ALDH1A1CHRM2
SCHEMBL21045924 0.75 HSD11B1 (0.56) HSD11B1CHRM1MAPK1ALDH1A1CHRM2
SCHEMBL29557148 0.75 HSD11B1 (0.56) HSD11B1CHRM1MAPK1ALDH1A1CHRM2
SCHEMBL29872667 0.75 HSD11B1 (0.67) HSD11B1CHRM1MAPK1ALDH1A1CHRM2
SCHEMBL1760919 0.75 HSD11B1 (0.67) HSD11B1CHRM1MAPK1ALDH1A1CHRM2
SCHEMBL5774178 0.75 HSD11B1 (0.67) HSD11B1CHRM1MAPK1ALDH1A1CHRM2
Hydrochloric Acid SCHEMBL3106327 0.75 HSD11B1 (0.67) HSD11B1CHRM1MAPK1ALDH1A1CHRM2

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
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

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 HSD11B1 90/4885CHRM1 4734/4885MAPK1 1328/4885

“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.