SCHEMBL3095108

SCHEMBL3095108

ClC(Cl)(Oc1cc[c]cc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.31
KCNN4 O15554 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL9798410 0.85 TSHR (0.48) TSHRCYP1A2MAPK1KCNN4ALDH1A1
SCHEMBL5227566 0.79 TSHR (0.35) TSHRCYP1A2
SCHEMBL6503944 0.79 KIF11 (0.36) TSHRMAPK1KCNN4ALDH1A1
SCHEMBL11419604 0.76 MAPK1 (0.50) TSHRMAPK1KCNN4ALDH1A1
SCHEMBL3645414 0.76 TSHR (0.39) TSHRMAPK1KCNN4ALDH1A1
SCHEMBL533896 0.73
SCHEMBL3849553 0.72 ALDH1A1 (0.31) TSHRALDH1A1
SCHEMBL3841441 0.72 TSHR (0.31) TSHRALDH1A1
SCHEMBL8309862 0.72 TSHR (0.48) TSHRCYP1A2MAPK1KCNN4ALDH1A1
SCHEMBL82940 0.72 TSHR (0.48) TSHRCYP1A2MAPK1KCNN4ALDH1A1

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-1987024-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-10-19 EP disclosed
US-7799825-B2 Thiophene and thiazole substituted trifluoroethanone derivatives as histone deacetylase (HDAC) inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-09-21 US disclosed
US-20090076101-A1 Thiophene and Thiazole Substituted Trifluoroethanone Derivatives as Histone Deacetylase (HDAC) Inhibitors MSD ITALIA S.R.L. (IT) 2009-03-19 US disclosed
EP-1987024-A1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS Istituto di Ricerche di Biologia Molecolare P. Angeletti (IT) 2008-11-05 EP disclosed
WO-2007093827-A1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-08-23 WO disclosed
EP-0602478-B1 Novel process for producing N4-acyl-5'-deoxy-5-fluorocytidine derivatives HOFFMANN LA ROCHE (CH) 1996-07-31 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 (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-20090076101-A1 Thiophene and Thiazole Substituted Trifluoroethanone Derivatives as Histone Deacetylase (HDAC) Inhibitors HDAC1, HDAC4, HDAC7 TSHR 265/4885CYP1A2 2038/4885MAPK1 435/4885

“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.