SCHEMBL20003534

SCHEMBL20003534

N#Cc1cc(S)ccc1Cl

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 3/20 0.69
▸ VCAM1 P19320 1/20 0.48
▸ IDO1 P14902 2/20 0.42
▸ SLC22A12 Q96S37 4/20 0.39
▸ GRM4 Q14833 1/20 0.37
▸ PGK1 P00558 1/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.34
▸ MAOA P21397 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ TPX2 Q9ULW0 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ AR P10275 1/20 0.33

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
SCHEMBL3754917 0.82 TRPV4 (1.00) TRPV4IDO1SLC22A12CYP11B2AR
SCHEMBL765561 0.78 TRPV4 (0.64) TRPV4MAOAMAOB
SCHEMBL27280801 0.77 TRPV4 (0.47) TRPV4IDO1PGK1
SCHEMBL104941 0.76 VCAM1 (0.52) TRPV4VCAM1IDO1SLC22A12GRM4
SCHEMBL1966379 0.76 TRPV4 (0.56) TRPV4MAOAMAOB
Fluoride SCHEMBL27571082 0.74 VCAM1 (0.50) TRPV4VCAM1IDO1SLC22A12GRM4
SCHEMBL3838602 0.74 VCAM1 (0.50) TRPV4VCAM1IDO1SLC22A12GRM4
SCHEMBL29898505 0.74 VCAM1 (0.50) TRPV4VCAM1IDO1SLC22A12GRM4
SCHEMBL16555923 0.73 TRPV4 (0.69) TRPV4GRM4CYP11B2AR
SCHEMBL2668196 0.73 TRPV4 (0.52) TRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109790116-B TRPV4 antagonists 葛兰素史密斯克莱知识产权(第2 号)有限公司 2022-10-28 — — CN disclosed
US-20210299113-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2021-09-30 — — US disclosed
EP-3515888-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2021-03-31 — — EP disclosed
WO-2018055526-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 (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-20210299113-A1 TRPV4 ANTAGONISTS TRPV4, TRPV5, TRPV2 TRPV4 1/4885VCAM1 2164/4885IDO1 1327/4885

“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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