SCHEMBL23833765

SCHEMBL23833765

COc1cc(Br)c([N+](=O)[O-])cc1S(=O)(=O)Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAPT P10636 4/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ PRKDC P78527 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TSHR P16473 1/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ ABCC1 P33527 1/20 0.38
▸ KMT2A Q03164 4/20 0.37
▸ POLB P06746 3/20 0.37
▸ GAA P10253 1/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ G6PD P11413 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NPSR1 Q6W5P4 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
SCHEMBL11432062 0.83 TRPV4 (0.49) TRPV4ALDH1A1TDP1MAPTKDM4E
SCHEMBL6524012 0.83 TRPV4 (0.47) TRPV4ALDH1A1TDP1MAPTKDM4E
SCHEMBL4303778 0.82 TRPV4 (0.44) TRPV4ALDH1A1TDP1MAPTKDM4E
SCHEMBL228990 0.80 ALDH1A1 (0.58) ALDH1A1TDP1MAPTKDM4EPRKDC
SCHEMBL11436791 0.80 TRPV4 (0.49) TRPV4ALDH1A1TDP1MAPTKDM4E
SCHEMBL31190009 0.78 HTR2A (0.43) ALDH1A1TDP1MAPTKDM4EPRKDC
SCHEMBL8542441 0.78 ALDH1A1 (0.51) TRPV4ALDH1A1TDP1MAPTKDM4E
SCHEMBL27185292 0.78 ALDH1A1 (0.44) ALDH1A1TDP1MAPTKDM4EPRKDC
SCHEMBL29451339 0.77 TRPV4 (0.41) TRPV4ALDH1A1TDP1MAPTKDM4E
SCHEMBL17038146 0.76 CYP1A2 (0.49) ALDH1A1TDP1MAPTKDM4EPRKDC

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-06-08 — — US disclosed
EP-4121029-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF Amathus Therapeutics, Inc. (US) 2023-01-25 — — EP disclosed
WO-2021188880-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2021-09-23 — — 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-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF TRAP1, PINK1, TP53BP1 TRPV4 1340/4885ALDH1A1 2569/4885TDP1 26/4885

“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.

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