SCHEMBL4174365

SCHEMBL4174365

COc1cc(OC)c(C=C(C(N)=O)S(=O)(=O)c2ccccc2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ABCG2 Q9UNQ0 2/20 0.45
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ MAPT P10636 5/20 0.41
▸ TP53 P04637 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ MAOA P21397 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4174361 1.00 KMT2A (0.46) KMT2AALDH1A1RAB9ASMN1; SMN2ABCG2
SCHEMBL4174354 1.00 KMT2A (0.46) KMT2AALDH1A1RAB9ASMN1; SMN2ABCG2
SCHEMBL4172509 0.91 ABCG2 (0.46) KMT2AALDH1A1RAB9ASMN1; SMN2ABCG2
SCHEMBL4172505 0.91 ABCG2 (0.46) KMT2AALDH1A1RAB9ASMN1; SMN2ABCG2
SCHEMBL4172500 0.91 ABCG2 (0.46) KMT2AALDH1A1RAB9ASMN1; SMN2ABCG2
SCHEMBL4186031 0.88 ABCG2 (0.43) KMT2AALDH1A1RAB9ASMN1; SMN2ABCG2
SCHEMBL4186037 0.88 ABCG2 (0.43) KMT2AALDH1A1RAB9ASMN1; SMN2ABCG2
SCHEMBL4186035 0.88 ABCG2 (0.43) KMT2AALDH1A1RAB9ASMN1; SMN2ABCG2
SCHEMBL4189148 0.83 ALDH1A1 (0.44) KMT2AALDH1A1RAB9ASMN1; SMN2ABCG2
SCHEMBL4189160 0.83 ALDH1A1 (0.44) KMT2AALDH1A1RAB9ASMN1; SMN2ABCG2

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 KMT2A 469/4885ALDH1A1 249/4885RAB9A 2921/4885

“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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