SCHEMBL2117789

SCHEMBL2117789

COc1ccc(S(=O)(=O)N(C)c2cc(-c3ccc(C#N)s3)ccc2C)cn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.38
CYP2C9 P11712 2/20 0.37
OXTR P30559 5/20 0.36
AVPR2 P30518 2/20 0.36
AVPR1A P37288 2/20 0.36
PGR P06401 3/20 0.35
NR3C1 P04150 1/20 0.35
AR P10275 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PIK3CD O00329 2/20 0.34
LMNA P02545 2/20 0.34
FBP1 P09467 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34

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
SCHEMBL2121913 0.77 PGR (0.39) CYP2C9PGRNR3C1ARCA1
SCHEMBL2117541 0.75 ACSS2 (0.40) KCNH2CYP2C9OXTRAVPR2AVPR1A
SCHEMBL1818704 0.69 NPC1 (0.41) CYP2C9
SCHEMBL2121659 0.69 OXTR (0.36) CYP2C9OXTRAVPR1APIK3CD
SCHEMBL2118049 0.68 ALDH1A1 (0.40) CYP2C9LMNAPIK3CAPIK3CG
SCHEMBL2116804 0.68 KIT (0.46) CYP2C9PIK3CDLMNAPIK3CAPIK3CB
SCHEMBL2117776 0.67 ACLY (0.38) PGRLMNA
SCHEMBL2034337 0.66 CA1 (0.54) PGRCA1CA2PIK3CDPIK3CA
SCHEMBL2119447 0.65 OXTR (0.37) CYP2C9OXTRAVPR1A
SCHEMBL2117835 0.65 MAPT (0.39) CYP2C9PGRPIK3CAPIK3CG

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-20120095012-A1 TOLUIDINE SULFONAMIDES AND THEIR USE ELARA PHARMACEUTICALS GMBH (DE) 2012-04-19 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-20120095012-A1 TOLUIDINE SULFONAMIDES AND THEIR USE HIF1A, HIF1AN, EGLN3 KCNH2 3023/4885CYP2C9 2049/4885OXTR 3975/4885

“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.