SCHEMBL4172211

SCHEMBL4172211

COc1ccc(CS(=O)(=O)/C(C#N)=C\c2c(F)c(F)c(F)c(F)c2F)cc1OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.51
▸ HPGD P15428 7/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ PKM P14618 3/20 0.51
▸ MAPT P10636 8/20 0.45
▸ ATM Q13315 1/20 0.45
▸ GPR55 Q9Y2T6 1/20 0.45
▸ GFER P55789 1/20 0.43
▸ GAA P10253 2/20 0.41
▸ EGFR P00533 1/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ LMNA P02545 8/20 0.41
▸ HTT P42858 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ APP P05067 1/20 0.40
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38

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
SCHEMBL4172212 1.00 ALDH1A1 (0.51) ALDH1A1HPGDSMN1; SMN2PKMMAPT
SCHEMBL4172208 1.00 ALDH1A1 (0.51) ALDH1A1HPGDSMN1; SMN2PKMMAPT
SCHEMBL4177250 0.86 TSHR (0.41) ALDH1A1SMN1; SMN2PKMMAPTEGFR
SCHEMBL4177242 0.86 TSHR (0.41) ALDH1A1SMN1; SMN2PKMMAPTEGFR
SCHEMBL4177246 0.86 TSHR (0.41) ALDH1A1SMN1; SMN2PKMMAPTEGFR
SCHEMBL4185364 0.82 ALDH1A1 (0.51) ALDH1A1HPGDSMN1; SMN2PKMMAPT
SCHEMBL4185369 0.82 ALDH1A1 (0.51) ALDH1A1HPGDSMN1; SMN2PKMMAPT
SCHEMBL4185366 0.82 ALDH1A1 (0.51) ALDH1A1HPGDSMN1; SMN2PKMMAPT
SCHEMBL4176422 0.78 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2PKMMAPTGAA
SCHEMBL4176418 0.78 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2PKMMAPTGAA

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 ALDH1A1 249/4885HPGD 2134/4885SMN1; 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.

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