SCHEMBL24258957

SCHEMBL24258957

OCCCCCc1cc(C(F)(F)F)ccn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.43
NOS2 P35228 1/20 0.43
CTSK P43235 1/20 0.40
KCNH2 Q12809 1/20 0.40
GLS O94925 11/20 0.39
ADRB2 P07550 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR2B P41595 1/20 0.38
KDM4E B2RXH2 1/20 0.38
FAAH O00519 1/20 0.37
CES1 P23141 1/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
MBOAT4 Q96T53 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL21503698 0.84 GABRA2 (0.45) NOS3NOS2KCNH2GLSADRB2
SCHEMBL14325726 0.82 NOS3 (0.44) NOS3NOS2KCNH2GLSADRB2
SCHEMBL28283856 0.80 NOS3 (0.46) NOS3NOS2KCNH2GLSADRB2
SCHEMBL2304178 0.79 NOS3 (0.52) NOS3NOS2KCNH2GLSADRB2
SCHEMBL29442871 0.79 NOS3 (0.52) NOS3NOS2KCNH2GLSADRB2
SCHEMBL24258965 0.78 NOS3 (0.41) NOS3NOS2KCNH2GLSADRB2
SCHEMBL20298821 0.76 CTSK (0.48) NOS3NOS2CTSKKCNH2GLS
SCHEMBL21503646 0.76 CYP2D6 (0.52) NOS3NOS2CTSKKCNH2ADRB2
SCHEMBL24258806 0.76 GLS (0.44) GLSADRB2FAAHCES1
SCHEMBL8569721 0.75 UHRF1 (0.41) NOS3NOS2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 US disclosed
US-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-05 US disclosed
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-02-22 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 (3 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-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 NOS3 2407/4885NOS2 3603/4885CTSK 3538/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NOS3 2407/4885NOS2 3603/4885CTSK 3538/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NOS3 2407/4885NOS2 3603/4885CTSK 3538/4885

“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.