SCHEMBL4872824

SCHEMBL4872824

COc1ccc(S(=O)(=O)N(CCBr)c2ccc(C)cc2Cc2c(F)cccc2F)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 0.42
HPGD P15428 1/20 0.41
TP53 P04637 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.39
PTGER1 P34995 4/20 0.39
OXTR P30559 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
PKM P14618 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
SCHEMBL3255576 0.91 HCRTR2 (0.44) HCRTR1HCRTR2HPGDTP53MAPT
SCHEMBL3243770 0.90 PKM (0.47) HCRTR1HCRTR2TP53MAPTMEN1
SCHEMBL3253418 0.90 MAPT (0.42) HCRTR1HCRTR2HPGDTP53MAPT
SCHEMBL3254906 0.86 HPGD (0.59) HCRTR1HCRTR2HPGDTP53MAPT
SCHEMBL3250359 0.86 MAPT (0.45) HCRTR1HCRTR2HPGDTP53MAPT
SCHEMBL14153499 0.86 HTT (0.40) HCRTR1HCRTR2HPGDTP53MAPT
SCHEMBL14153834 0.85 HCRTR1 (0.41) HCRTR1HCRTR2HPGDTP53MAPT
SCHEMBL3243706 0.84 KEAP1 (0.44) HCRTR1HCRTR2HPGDTP53MAPT
SCHEMBL14153933 0.84 PDE4A (0.46) HCRTR1HCRTR2TP53MAPTMEN1
SCHEMBL14153498 0.84 PDE4A (0.49) HPGDTP53ALDH1A1GAAKEAP1

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-7396958-B2 Sulphonamide derivatives, their preparation and their therapeutic application SANOFI AVENTIS (FR) 2008-07-08 US disclosed
US-20070185136-A1 SULPHONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI-AVENTIS (FR) 2007-08-09 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-20070185136-A1 SULPHONAMIDE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION HCRTR2, GIPR, SSTR2 HCRTR1 6/4885HCRTR2 1/4885HPGD 4662/4885

“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.