SCHEMBL4181848

SCHEMBL4181848

COc1ccc(S(=O)(=O)/C(=C/c2ccc(F)cc2)C(N)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ EGFR P00533 1/20 0.47
▸ ERBB2 P04626 1/20 0.47
▸ NFE2L2 Q16236 1/20 0.46
▸ GPR183 P32249 1/20 0.46
▸ AKR1C3 P42330 1/20 0.45
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42
▸ TUBA3C P0DPH7 1/20 0.42
▸ TUBA1B P68363 1/20 0.42
▸ TUBA4A P68366 1/20 0.42
▸ TUBB4B P68371 1/20 0.42
▸ TUBB3 Q13509 1/20 0.42
▸ TUBB2A Q13885 1/20 0.42

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
SCHEMBL4181849 1.00 PKM (0.47) PKMHPGDEGFRERBB2NFE2L2
SCHEMBL4181853 1.00 PKM (0.47) PKMHPGDEGFRERBB2NFE2L2
SCHEMBL4184894 0.85 MAOA (0.55) PKMHPGDNFE2L2AKR1C3SMN1; SMN2
SCHEMBL4184889 0.85 MAOA (0.55) PKMHPGDNFE2L2AKR1C3SMN1; SMN2
SCHEMBL4184895 0.85 MAOA (0.55) PKMHPGDNFE2L2AKR1C3SMN1; SMN2
SCHEMBL4185178 0.82 PKM (0.57) PKMEGFRERBB2GPR183AKR1C3
SCHEMBL4185174 0.82 PKM (0.57) PKMEGFRERBB2GPR183AKR1C3
SCHEMBL4185180 0.82 PKM (0.57) PKMEGFRERBB2GPR183AKR1C3
SCHEMBL4188504 0.81 BRAF (0.48) EGFRERBB2NFE2L2SMN1; SMN2
SCHEMBL4188507 0.81 BRAF (0.48) EGFRERBB2NFE2L2SMN1; 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 PKM 2657/4885HPGD 2134/4885EGFR 66/4885

“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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