Sugi Predict

Sugi Predict / Compounds / SCHEMBL21144310

SCHEMBL21144310

SCHEMBL21144310

C[C@H](O)[C@]1(O)CN(S(=O)(=O)c2ccccc2C#N)C[C@@H]1Oc1ccc(C#N)c(F)c1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 20/20 0.73
▸ CYP3A4 P08684 2/20 0.54
▸ KCNH2 Q12809 2/20 0.54

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
SCHEMBL21144312 1.00 TRPV4 (0.73) TRPV4CYP3A4KCNH2
SCHEMBL21144253 0.91 TRPV4 (0.61) TRPV4CYP3A4KCNH2
SCHEMBL21144255 0.91 TRPV4 (0.61) TRPV4CYP3A4KCNH2
SCHEMBL20007224 0.90 TRPV4 (0.59) TRPV4CYP3A4KCNH2
SCHEMBL30266589 0.90 TRPV4 (0.59) TRPV4CYP3A4KCNH2
SCHEMBL21144237 0.90 TRPV4 (0.59) TRPV4CYP3A4KCNH2
SCHEMBL23607294 0.89 TRPV4 (0.59) TRPV4CYP3A4KCNH2
SCHEMBL21144404 0.89 TRPV4 (0.66) TRPV4CYP3A4KCNH2
SCHEMBL21144403 0.89 TRPV4 (0.66) TRPV4CYP3A4KCNH2
SCHEMBL19995365 0.88 TRPV4 (0.58) TRPV4CYP3A4KCNH2

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
CN-109952289-B TRPV4 antagonists 葛兰素史密斯克莱知识产权（第2 号）有限公司 2022-12-09 — — CN claimed
EP-3515887-B1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2021-07-07 — — EP claimed
US-20200261411-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2020-08-20 — — US claimed
CN-109952289-B TRPV4 antagonists 葛兰素史密斯克莱知识产权（第2 号）有限公司 2022-12-09 — — CN 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
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 (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 TRPV4 1/4885CYP3A4 1185/4885KCNH2 305/4885
US-11229623-B2 TRPV4 antagonists TRPV4, TRPV5, TRPV2 TRPV4 1/4885CYP3A4 1185/4885KCNH2 305/4885
US-20200261411-A1 TRPV4 ANTAGONISTS TRPV4, TRPV5, TRPV2 TRPV4 1/4885CYP3A4 1185/4885KCNH2 305/4885
US-20190216774-A1 TRPV4 ANTAGONISTS TRPV4, TRPV5, TRPV2 TRPV4 1/4885CYP3A4 1185/4885KCNH2 305/4885

“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.