SCHEMBL4177250

SCHEMBL4177250

COc1ccc(CS(=O)(=O)C(C#N)=Cc2c(F)c(F)c(F)c(F)c2F)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CA2 P00918 5/20 0.40
▸ CA1 P00915 4/20 0.40
▸ CA9 Q16790 4/20 0.40
▸ CA12 O43570 2/20 0.40
▸ EGFR P00533 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ LDHA P00338 1/20 0.39

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
SCHEMBL4177242 1.00 TSHR (0.41) TSHRMAPK10SMN1; SMN2LMNACYP1A2
SCHEMBL4177246 1.00 TSHR (0.41) TSHRMAPK10SMN1; SMN2LMNACYP1A2
SCHEMBL4172212 0.86 ALDH1A1 (0.51) SMN1; SMN2LMNAMAPTEGFRALDH1A1
SCHEMBL4172211 0.86 ALDH1A1 (0.51) SMN1; SMN2LMNAMAPTEGFRALDH1A1
SCHEMBL4172208 0.86 ALDH1A1 (0.51) SMN1; SMN2LMNAMAPTEGFRALDH1A1
SCHEMBL4176422 0.85 SMN1; SMN2 (0.44) SMN1; SMN2LMNAMAPTEGFRALDH1A1
SCHEMBL4176418 0.85 SMN1; SMN2 (0.44) SMN1; SMN2LMNAMAPTEGFRALDH1A1
SCHEMBL4176425 0.85 SMN1; SMN2 (0.44) SMN1; SMN2LMNAMAPTEGFRALDH1A1
SCHEMBL4178970 0.83 HPGD (0.45) TSHRCYP1A2MAPTCA2CA1
SCHEMBL4178964 0.83 HPGD (0.45) TSHRCYP1A2MAPTCA2CA1

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
US-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-07-30 — — US claimed
EP-2046322-A2 ARYL VINYL SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 2009-04-15 — — EP claimed
WO-2008016682-A2 ARYL VINYL SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2008-02-07 — — WO claimed
US-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-07-30 — — 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-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof ARSA, STS, SULT2A1 TSHR 1154/4885MAPK10 2823/4885SMN1; SMN2 448/4885

“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.

Send feedback