SCHEMBL4169957

SCHEMBL4169957

COc1ccc(C=C(C#N)S(=O)(=O)Cc2ccc(Cl)cc2Cl)c(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ LMNA P02545 2/20 0.39
▸ HDAC8 Q9BY41 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ ERCC1 P07992 1/20 0.36
▸ ERCC4 Q92889 1/20 0.36
▸ MET P08581 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ POLB P06746 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ FLT1 P17948 1/20 0.35

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
SCHEMBL4169956 1.00 KDM4E (0.41) KDM4ELMNAHDAC8GABRA1GABRG2
SCHEMBL4169951 1.00 KDM4E (0.41) KDM4ELMNAHDAC8GABRA1GABRG2
SCHEMBL4185276 0.86 KDM4E (0.43) KDM4ELMNAHDAC8GABRA1GABRG2
SCHEMBL4185268 0.86 KDM4E (0.43) KDM4ELMNAHDAC8GABRA1GABRG2
SCHEMBL4185274 0.86 KDM4E (0.43) KDM4ELMNAHDAC8GABRA1GABRG2
SCHEMBL4182745 0.86 KDM4E (0.40) KDM4EHDAC8MEN1KMT2APOLB
SCHEMBL4182749 0.86 KDM4E (0.40) KDM4EHDAC8MEN1KMT2APOLB
SCHEMBL4182742 0.86 KDM4E (0.40) KDM4EHDAC8MEN1KMT2APOLB
SCHEMBL4185868 0.86 CYP1A2 (0.47) KDM4ELMNAGABRA1GABRG2GABRB3
SCHEMBL4185362 0.86 KDM4E (0.46) KDM4ELMNAHDAC8MEN1KMT2A

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 2 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
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 KDM4E 1688/4885LMNA 4621/4885HDAC8 960/4885

“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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