SCHEMBL21144508

SCHEMBL21144508

O=S(=O)(Cl)c1ccc(C(F)F)nc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.35
TRPV4 Q9HBA0 2/20 0.33
KDM4E B2RXH2 1/20 0.32
APLNR P35414 1/20 0.32
PTGS2 P35354 2/20 0.31
PTGS1 P23219 1/20 0.31
MAPT P10636 1/20 0.31
CHRNA7 P36544 1/20 0.31

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
SCHEMBL25034029 0.81 CA2 (0.43) TDP1KDM4EAPLNRPTGS2PTGS1
SCHEMBL13497850 0.74 ALDH1A1 (0.44) ALDH1A1HSD17B10TDP1SMN1; SMN2KDM4E
SCHEMBL20003539 0.73 ALDH1A1 (0.46) ALDH1A1HSD17B10TDP1SMN1; SMN2TRPV4
SCHEMBL17463073 0.73 TRPV4 (0.52) ALDH1A1HSD17B10TDP1SMN1; SMN2TRPV4
SCHEMBL29948975 0.72 TRPV4 (0.52) ALDH1A1HSD17B10TDP1TRPV4
SCHEMBL244098 0.72 TRPV4 (0.52) ALDH1A1HSD17B10TDP1TRPV4
SCHEMBL29483829 0.71 SMN1; SMN2 (0.56) ALDH1A1HSD17B10TDP1SMN1; SMN2MAPT
SCHEMBL17509 0.71 SMN1; SMN2 (0.56) ALDH1A1HSD17B10TDP1SMN1; SMN2MAPT
SCHEMBL651902 0.71 ALDH1A1 (0.71) ALDH1A1HSD17B10TDP1
SCHEMBL25034031 0.71 CA1 (0.35) ALDH1A1MAPTCHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX PHARMACEUTICALS AKTIENGESELLSCHAFT (DE) 2023-11-09 US disclosed
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX PHARMACEUTICALS AKTIENGESELLSCHAFT (DE) 2023-11-09 US disclosed
US-11229623-B2 TRPV4 antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2022-01-25 US disclosed
US-11229623-B2 TRPV4 antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2022-01-25 US disclosed
EP-3515887-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2021-07-07 EP disclosed
EP-3515887-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2021-07-07 EP disclosed
US-20210147398-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX-FXR GMBH (DE) 2021-05-20 US disclosed
US-20200261411-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2020-08-20 US disclosed
US-10588891-B2 TRPV4 antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-17 US disclosed
US-20190216774-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2019-07-18 US disclosed
US-20190216774-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2019-07-18 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 (6 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-10588891-B2 TRPV4 antagonists TRPV4, TRPV5, TRPV2 ALDH1A1 3265/4885HSD17B10 4087/4885TDP1 3775/4885
US-11229623-B2 TRPV4 antagonists TRPV4, TRPV5, TRPV2 ALDH1A1 3265/4885HSD17B10 4087/4885TDP1 3775/4885
US-20210147398-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NR1H4 ALDH1A1 3993/4885HSD17B10 585/4885TDP1 4637/4885
US-20200261411-A1 TRPV4 ANTAGONISTS TRPV4, TRPV5, TRPV2 ALDH1A1 3265/4885HSD17B10 4087/4885TDP1 3775/4885
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NR1H4 ALDH1A1 3993/4885HSD17B10 585/4885TDP1 4637/4885
US-20190216774-A1 TRPV4 ANTAGONISTS TRPV4, TRPV5, TRPV2 ALDH1A1 3265/4885HSD17B10 4087/4885TDP1 3775/4885

“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.