SCHEMBL4182745

SCHEMBL4182745

COc1ccc(/C=C(/C#N)S(=O)(=O)Cc2ccc(Cl)cc2)c(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.40
▸ POLB P06746 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ AMY1A P0DUB6 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ EGFR P00533 2/20 0.35
▸ ERBB2 P04626 2/20 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
SCHEMBL4182742 1.00 KDM4E (0.40) KDM4EPOLBKMT2AMEN1NPSR1
SCHEMBL4182749 1.00 KDM4E (0.40) KDM4EPOLBKMT2AMEN1NPSR1
SCHEMBL4169957 0.86 KDM4E (0.41) KDM4EPOLBKMT2AMEN1NPSR1
SCHEMBL4169956 0.86 KDM4E (0.41) KDM4EPOLBKMT2AMEN1NPSR1
SCHEMBL4169951 0.86 KDM4E (0.41) KDM4EPOLBKMT2AMEN1NPSR1
SCHEMBL3822126 0.83 CA12 (0.39) KDM4EPOLBKMT2AMEN1NPSR1
SCHEMBL4191769 0.80 ALDH1A1 (0.46) KDM4EKMT2AMEN1NPSR1MAPT
SCHEMBL4191775 0.80 ALDH1A1 (0.46) KDM4EKMT2AMEN1NPSR1MAPT
SCHEMBL4191779 0.80 ALDH1A1 (0.46) KDM4EKMT2AMEN1NPSR1MAPT
SCHEMBL3189948 0.80 BRAF (0.49) KDM4EPOLBKMT2AMEN1NPSR1

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 KDM4E 1688/4885POLB 3367/4885KMT2A 469/4885

“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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