SCHEMBL21763772

SCHEMBL21763772

Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1Br

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C19 P33261 2/20 0.50
MEN1 O00255 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
MCL1 Q07820 10/20 0.41
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
CYTH2 Q99418 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B2 P37059 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
SCHEMBL15755388 0.87 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C19MEN1CYP2D6
SCHEMBL30229923 0.87 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C19MEN1CYP2D6
SCHEMBL15755737 0.86 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19MEN1CYP2D6
SCHEMBL30229952 0.86 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19MEN1CYP2D6
SCHEMBL24071016 0.78 CYP3A4 (0.54) CYP1A2CYP3A4CYP2C19MEN1CYP2D6
SCHEMBL30230025 0.78 CYP3A4 (0.54) CYP1A2CYP3A4CYP2C19MEN1CYP2D6
SCHEMBL15755196 0.78 TDP1 (0.43) CYP1A2CYP3A4CYP2C19MEN1CYP2D6
SCHEMBL30230234 0.78 TDP1 (0.43) CYP1A2CYP3A4CYP2C19MEN1CYP2D6
SCHEMBL15761584 0.76 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C19MEN1CYP2D6
SCHEMBL15756000 0.76 CYP1A2 (0.61) CYP1A2CYP3A4CYP2C19MEN1CYP2D6

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-20200062700-A1 SUBSTITUTED BIARYL SULFONAMIDES AND THE USE THEREOF NOVOMEDIX LLC (US) 2020-02-27 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-20200062700-A1 SUBSTITUTED BIARYL SULFONAMIDES AND THE USE THEREOF EIF2AK2, TP53, KRAS CYP1A2 3855/4885CYP3A4 4387/4885CYP2C19 4537/4885

“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.