SCHEMBL21144271

SCHEMBL21144271

C=C1CN(S(=O)(=O)c2ccccc2C#N)C[C@H]1O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
PKM P14618 1/20 0.48
TRPV4 Q9HBA0 3/20 0.43
CTDSP1 Q9GZU7 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GPR183 P32249 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
AKR1C3 P42330 1/20 0.40
GBA1 P04062 1/20 0.39
HTT P42858 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL21144272 1.00 ATM (0.48) ATMPKMTRPV4CTDSP1TDP1
SCHEMBL21144245 0.84 TRPV4 (0.51) TRPV4
SCHEMBL21144246 0.84 TRPV4 (0.51) TRPV4
SCHEMBL21172225 0.80 TRPV4 (0.49) TRPV4
SCHEMBL15720452 0.75 ATM (0.62) ATMPKMTRPV4CTDSP1TDP1
SCHEMBL1014809 0.72 PKM (0.67) ATMPKMCTDSP1TDP1L3MBTL1
SCHEMBL14362536 0.71 TSHR (0.68) ATMPKMCTDSP1TDP1L3MBTL1
SCHEMBL21171930 0.70 TRPV4 (0.48) TRPV4L3MBTL1ALDH1A1HTTTSHR
SCHEMBL12655862 0.70 PKM (0.63) ATMPKMCTDSP1TDP1L3MBTL1
SCHEMBL4518487 0.69 ATM (0.65) ATMPKMCTDSP1TDP1L3MBTL1

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 7 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
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 ATM 4553/4885PKM 1349/4885TRPV4 1/4885
US-11229623-B2 TRPV4 antagonists TRPV4, TRPV5, TRPV2 ATM 4553/4885PKM 1349/4885TRPV4 1/4885
US-20200261411-A1 TRPV4 ANTAGONISTS TRPV4, TRPV5, TRPV2 ATM 4553/4885PKM 1349/4885TRPV4 1/4885
US-20190216774-A1 TRPV4 ANTAGONISTS TRPV4, TRPV5, TRPV2 ATM 4553/4885PKM 1349/4885TRPV4 1/4885

“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.