SCHEMBL21144183

SCHEMBL21144183

C=C1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)C[C@H]1O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 16/20 0.50
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL29355549 1.00 TRPV4 (0.50) TRPV4MEN1ALDH1A1TSHRKMT2A
SCHEMBL21144185 1.00 TRPV4 (0.50) TRPV4MEN1ALDH1A1TSHRKMT2A
SCHEMBL21171930 0.85 TRPV4 (0.48) TRPV4ALDH1A1TSHRL3MBTL1
SCHEMBL21172225 0.83 TRPV4 (0.49) TRPV4
SCHEMBL30014547 0.79 TRPV4 (0.53) TRPV4
SCHEMBL20003505 0.79 TRPV4 (0.53) TRPV4
SCHEMBL20003613 0.74 TRPV4 (0.55) TRPV4MEN1ALDH1A1TSHRKMT2A
SCHEMBL23613811 0.74 TSHR (0.47) TRPV4MEN1ALDH1A1TSHRKMT2A
SCHEMBL21144246 0.72 TRPV4 (0.51) TRPV4
SCHEMBL21144245 0.72 TRPV4 (0.51) 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 8 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

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 1/4885MEN1 4667/4885ALDH1A1 3265/4885
US-11229623-B2 TRPV4 antagonists TRPV4, TRPV5, TRPV2 TRPV4 1/4885MEN1 4667/4885ALDH1A1 3265/4885
US-20200261411-A1 TRPV4 ANTAGONISTS TRPV4, TRPV5, TRPV2 TRPV4 1/4885MEN1 4667/4885ALDH1A1 3265/4885
US-20190216774-A1 TRPV4 ANTAGONISTS TRPV4, TRPV5, TRPV2 TRPV4 1/4885MEN1 4667/4885ALDH1A1 3265/4885

“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.