SCHEMBL4185362

SCHEMBL4185362

COc1ccc(OC)c(C=C(C#N)S(=O)(=O)Cc2ccc(Cl)cc2Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
MAPT P10636 4/20 0.41
LMNA P02545 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 4/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 2/20 0.38
THRB P10828 2/20 0.38
IDO1 P14902 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 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
SCHEMBL4185353 1.00 KDM4E (0.46) KDM4EMAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL4185360 1.00 KDM4E (0.46) KDM4EMAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL4185868 0.92 CYP1A2 (0.47) KDM4EMAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL4185874 0.92 CYP1A2 (0.47) KDM4EMAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL4185872 0.92 CYP1A2 (0.47) KDM4EMAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL4185274 0.89 KDM4E (0.43) KDM4ELMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL4185268 0.89 KDM4E (0.43) KDM4ELMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL4185276 0.89 KDM4E (0.43) KDM4ELMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL4181764 0.88 ERCC1 (0.41) KDM4EMAPTL3MBTL1ALDH1A1MEN1
SCHEMBL4181759 0.88 ERCC1 (0.41) KDM4EMAPTL3MBTL1ALDH1A1MEN1

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 6 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
EP-2046322-A2 ARYL VINYL SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 2009-04-15 EP claimed
WO-2008016682-A2 ARYL VINYL SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2008-02-07 WO 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
EP-2046322-A2 ARYL VINYL SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF Temple University of the Commonwealth System of Higher Education (US) 2009-04-15 EP disclosed
WO-2008016682-A2 ARYL VINYL SULFIDES, SULFONES, SULFOXIDES AND SULFONAMIDES, DERIVATIVES THEREOF AND THERAPEUTIC USES THEREOF TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2008-02-07 WO 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 1688/4885MAPT 3633/4885LMNA 4621/4885

“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.