SCHEMBL308729

SCHEMBL308729

O=S(=O)(Cl)c1ccc(C(F)(F)F)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.42
EPHX2 P34913 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MCL1 Q07820 6/20 0.38
KIF11 P52732 1/20 0.38
AVPR2 P30518 1/20 0.36
GPR27 Q9NS67 1/20 0.36
HSD11B1 P28845 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 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
SCHEMBL30214735 0.85 ALDH1A1 (0.43) TRPV4EPHX2MEN1ALDH1A1TSHR
SCHEMBL310121 0.85 ALDH1A1 (0.43) TRPV4EPHX2MEN1ALDH1A1TSHR
SCHEMBL2183059 0.83 KIF11 (0.47) EPHX2KMT2AKIF11CA1CA2
SCHEMBL2748213 0.83 CA1 (0.40) TRPV4MEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL14684308 0.83 ADRA1A (0.43) EPHX2MEN1ALDH1A1TSHRKMT2A
SCHEMBL30918492 0.83 KIF11 (0.47) EPHX2KMT2AKIF11CA1CA2
SCHEMBL11772105 0.80 KIF11 (0.41) TRPV4EPHX2MEN1ALDH1A1TSHR
SCHEMBL15745423 0.80 ALDH1A1 (0.40) TRPV4EPHX2MEN1ALDH1A1TSHR
SCHEMBL25362679 0.79 MCL1 (0.51) TRPV4MEN1ALDH1A1TSHRKMT2A
SCHEMBL66378 0.79 TRPV4 (0.53) TRPV4MEN1ALDH1A1TSHRKMT2A

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 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250026721-A1 COMPOUNDS AND METHODS FOR MODULATING RAS-PI3K VIVIDION THERAPEUTICS, INC. 2025-01-23 US disclosed
EP-3555078-B1 BISARYL HETEROCYCLES AS NRF2 ACTIVATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-03-27 EP disclosed
EP-3555088-B1 BISARYL AMIDES AS NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-11-24 EP disclosed
US-11117905-B2 Bisaryl heterocycles as NRF2 activators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-09-14 US disclosed
US-11078216-B2 Bisaryl amides as NRF2 activators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-08-03 US disclosed
US-20200071310-A1 N-ARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-05 US disclosed
US-20200062781-A1 BISARYL HETEROCYCLES AS NRF2 ACTIVATORS ASTEX THERAPEUTICS LIMITED (GB) 2020-02-27 US disclosed
US-20200031820-A1 3-CARBOXYLIC ACID PYRROLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-01-30 US disclosed
US-20190330238-A1 BISARYL AMIDES AS NRF2 ACTIVATORS ASTEX THERAPEUTICS LIMITED (GB) 2019-10-31 US disclosed
EP-3555088-A1 BISARYL AMIDES AS NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-10-23 EP disclosed
WO-2009045382-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2009-04-09 WO disclosed
WO-2009017719-A2 MODULATORS OF CCR9 RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-02-05 WO disclosed
WO-2008076752-A1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-26 WO disclosed
US-20080146637-A1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-19 US disclosed
US-20080146637-A1 BENZIMIDAZOLE TRPV1 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-19 US disclosed
EP-1664010-A1 SULFONAMIDES ANTAGONISING N-TYPE CALCIUM CHANNELS Vernalis (R&D) Limited (GB) 2006-06-07 EP disclosed
WO-2005068448-A1 SULFONAMIDES ANTAGONISING N-TYPE CALCIUM CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2005-07-28 WO disclosed
US-3995042-A MUSCLE RELAXANTS, CENTRAL NERVOUS SYSTEM STIMULANTS E. R. SQUIBB & SONS, INC. (US) 1976-11-30 US disclosed
US-3957799-A STIMULANTS, MUSCLE RELAXANTS E. R. SQUIBB & SONS, INC. (US) 1976-05-18 US disclosed
US-3946025-A MUSCLE RELAXANTS E. R. SQUIBB & SONS, INC. (US) 1976-03-23 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 (8 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-11078216-B2 Bisaryl amides as NRF2 activators NFE2L2, KEAP1, NQO1 TRPV4 3449/4885EPHX2 973/4885MEN1 4698/4885
US-20190330238-A1 BISARYL AMIDES AS NRF2 ACTIVATORS NFE2L2, KEAP1, NQO1 TRPV4 3449/4885EPHX2 973/4885MEN1 4698/4885
US-20250026721-A1 COMPOUNDS AND METHODS FOR MODULATING RAS-PI3K KRAS, HRAS, NRAS TRPV4 4643/4885EPHX2 2121/4885MEN1 1351/4885
US-20080146637-A1 BENZIMIDAZOLE TRPV1 INHIBITORS TRPV1, TRPV2, TRPA1 TRPV4 6/4885EPHX2 2028/4885MEN1 4627/4885
US-20200031820-A1 3-CARBOXYLIC ACID PYRROLES AS NRF2 REGULATORS NFE2L2, KEAP1, NFE2 TRPV4 3414/4885EPHX2 1053/4885MEN1 4789/4885
US-20200062781-A1 BISARYL HETEROCYCLES AS NRF2 ACTIVATORS NFE2L2, KEAP1, NQO1 TRPV4 3487/4885EPHX2 609/4885MEN1 4383/4885
US-11117905-B2 Bisaryl heterocycles as NRF2 activators NFE2L2, KEAP1, NQO1 TRPV4 3487/4885EPHX2 609/4885MEN1 4383/4885
US-20200071310-A1 N-ARYL PYRAZOLES AS NRF2 REGULATORS NFE2L2, NQO1, KEAP1 TRPV4 2804/4885EPHX2 1168/4885MEN1 4738/4885

“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.