SCHEMBL4179112

SCHEMBL4179112

COc1ccc(CS(=O)(=O)C(=Cc2c(OC)cc(OC)cc2OC)C(N)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.41
▸ HTT P42858 3/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PLK1 P53350 4/20 0.40
▸ MET P08581 1/20 0.40
▸ NQO2 P16083 1/20 0.40
▸ FECH P22830 1/20 0.40
▸ CLK3 P49761 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ PTGS2 P35354 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ HDAC3 O15379 2/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ HDAC1 Q13547 2/20 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
SCHEMBL4179107 1.00 LMNA (0.41) LMNAHTTNPC1CYP3A4CYP2C9
SCHEMBL4179101 1.00 LMNA (0.41) LMNAHTTNPC1CYP3A4CYP2C9
SCHEMBL4172157 0.92 EGFR (0.40) LMNAPLK1METNQO2FECH
SCHEMBL4172163 0.92 EGFR (0.40) LMNAPLK1METNQO2FECH
SCHEMBL4172167 0.92 EGFR (0.40) LMNAPLK1METNQO2FECH
SCHEMBL4184837 0.90 EGFR (0.39) LMNAHTTNPC1CYP3A4SMN1; SMN2
SCHEMBL4184830 0.90 EGFR (0.39) LMNAHTTNPC1CYP3A4SMN1; SMN2
SCHEMBL4184825 0.90 EGFR (0.39) LMNAHTTNPC1CYP3A4SMN1; SMN2
SCHEMBL3188047 0.86 ABCG2 (0.45) LMNAHTTNPC1CYP3A4SMN1; SMN2
SCHEMBL3188041 0.86 ABCG2 (0.45) LMNAHTTNPC1CYP3A4SMN1; SMN2

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 1 patent. 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 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 LMNA 4621/4885HTT 1825/4885NPC1 4546/4885

“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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