SCHEMBL4172163

SCHEMBL4172163

COc1cc(OC)c(/C=C(/C(N)=O)S(=O)(=O)Cc2ccc(Cl)cc2)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 3/20 0.40
▸ ERBB2 P04626 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PLK1 P53350 3/20 0.39
▸ MET P08581 1/20 0.39
▸ NQO2 P16083 1/20 0.39
▸ FECH P22830 1/20 0.39
▸ CLK3 P49761 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ PKM P14618 1/20 0.38
▸ ABCG2 Q9UNQ0 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ FKBP1A P62942 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37

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
SCHEMBL4172157 1.00 EGFR (0.40) EGFRERBB2MEN1KMT2APLK1
SCHEMBL4172167 1.00 EGFR (0.40) EGFRERBB2MEN1KMT2APLK1
SCHEMBL4179101 0.92 LMNA (0.41) KMT2APLK1METNQO2FECH
SCHEMBL4179112 0.92 LMNA (0.41) KMT2APLK1METNQO2FECH
SCHEMBL4179107 0.92 LMNA (0.41) KMT2APLK1METNQO2FECH
SCHEMBL4184829 0.88 BRAF (0.43) EGFRERBB2MEN1KMT2ALMNA
SCHEMBL4184824 0.88 BRAF (0.43) EGFRERBB2MEN1KMT2ALMNA
SCHEMBL4184835 0.88 BRAF (0.43) EGFRERBB2MEN1KMT2ALMNA
SCHEMBL4178892 0.85 LMNA (0.41) MEN1KMT2ALMNAABCG2MAPT
SCHEMBL4178898 0.85 LMNA (0.41) MEN1KMT2ALMNAABCG2MAPT

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 EGFR 66/4885ERBB2 23/4885MEN1 2503/4885

“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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