SCHEMBL2117541

SCHEMBL2117541

COc1ccc(S(=O)(=O)N(C)c2cc(-c3ccco3)ccc2C)cn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 1/20 0.40
KCNH2 Q12809 2/20 0.40
CYP2C9 P11712 2/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.38
OXTR P30559 5/20 0.37
AVPR2 P30518 1/20 0.37
AVPR1A P37288 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TRIM24 O15164 1/20 0.35
PAX8 Q06710 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
SCHEMBL2117226 0.87 CYP2C9 (0.39) ACSS2CYP2C9KDM4EPOLBLMNA
SCHEMBL2120046 0.86 CYP2C9 (0.37) ACSS2CYP2C9KDM4EPOLBLMNA
SCHEMBL2118249 0.79 PSEN1 (0.45) CYP2C9KDM4ELMNACA1CA2
SCHEMBL2117866 0.79 TAAR1 (0.47) CYP2C9KDM4EPOLBLMNATRIM24
SCHEMBL2117311 0.79 HSD17B1 (0.43) CYP2C9KDM4ELMNATRIM24
SCHEMBL2118182 0.78 TRIM24 (0.54) ACSS2POLBLMNATRIM24
SCHEMBL2117789 0.75 KCNH2 (0.38) KCNH2CYP2C9LMNAOXTRAVPR2
SCHEMBL13575348 0.72 MEN1 (0.47) ACSS2KDM4EPOLBCA1CA2
SCHEMBL2119290 0.67 TRIM24 (0.55) CYP2C9KDM4EPOLBLMNATRIM24
SCHEMBL2116901 0.66 TRIM24 (0.49) CYP2C9POLBTRIM24

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-20120095012-A1 TOLUIDINE SULFONAMIDES AND THEIR USE ELARA PHARMACEUTICALS GMBH (DE) 2012-04-19 US disclosed
EP-2382190-A1 TOLUIDINE SULFONAMIDES AND THEIR USE AS-INHIBITORS European Molecular Biology Laboratory (EMBL) (DE) 2011-11-02 EP 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-20120095012-A1 TOLUIDINE SULFONAMIDES AND THEIR USE HIF1A, HIF1AN, EGLN3 ACSS2 806/4885KCNH2 3023/4885CYP2C9 2049/4885

“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.