SCHEMBL20007679

SCHEMBL20007679

O=S(=O)(Cl)c1ccc(Cl)c(OC(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.43
CNR2 P34972 1/20 0.41
S100A9 P06702 1/20 0.41
PDE3A Q14432 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
RORC P51449 3/20 0.38
TSHR P16473 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
SLC22A12 Q96S37 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
SCN3A Q9NY46 1/20 0.37
EPAS1 Q99814 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36

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
SCHEMBL2635603 0.86 S100A9 (0.53) CNR2S100A9RORCSCN3AEPAS1
SCHEMBL15627060 0.81 ALDH1A1 (0.41) CNR2S100A9ALDH1A1MAPTRORC
SCHEMBL29553294 0.81 ALDH1A1 (0.41) CNR2S100A9ALDH1A1MAPTRORC
SCHEMBL4181852 0.80 TSHR (0.51) ALDH1A1TSHRFFAR4
SCHEMBL2443453 0.78 S100A9 (0.38) CNR2S100A9ALDH1A1RORCSCN3A
SCHEMBL1415662 0.78 EPAS1 (0.47) S100A9MCOLN3EPAS1
SCHEMBL1939505 0.77 ALDH1A1 (0.63) ALDH1A1MAPTTSHRMCOLN3L3MBTL1
SCHEMBL3884379 0.74 EPAS1 (0.46) CNR2S100A9ALDH1A1RORCEPAS1
SCHEMBL9978249 0.74 PTPN1 (0.49) ALDH1A1EPAS1
SCHEMBL9938331 0.74 CNR2 (0.36) CNR2S100A9ALDH1A1RORCSCN3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
WO-2018055524-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-03-29 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 (4 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 NOTUM 2802/4885CNR2 89/4885S100A9 527/4885
US-11229623-B2 TRPV4 antagonists TRPV4, TRPV5, TRPV2 NOTUM 2802/4885CNR2 89/4885S100A9 527/4885
US-20200261411-A1 TRPV4 ANTAGONISTS TRPV4, TRPV5, TRPV2 NOTUM 2802/4885CNR2 89/4885S100A9 527/4885
US-20190216774-A1 TRPV4 ANTAGONISTS TRPV4, TRPV5, TRPV2 NOTUM 2802/4885CNR2 89/4885S100A9 527/4885

“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.