SCHEMBL24259663

SCHEMBL24259663

CC(C)Oc1ccc(-c2cccc(N(CCCCCc3noc(C(C)(F)F)n3)C(=O)NC3CCOCC3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 15/20 0.42
GSK3B P49841 1/20 0.35
HDAC6 Q9UBN7 3/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC4 P56524 1/20 0.34
EPHX2 P34913 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34

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
SCHEMBL22347715 0.81 NR1H4 (0.64) NR1H4
SCHEMBL22352846 0.79 NR1H4 (0.54) NR1H4HDAC6HDAC1HDAC8HDAC5
SCHEMBL24259683 0.79 NR1H4 (0.34) NR1H4
SCHEMBL24259501 0.78 NR1H4 (0.56) NR1H4HDAC6HDAC1HDAC4HDAC5
SCHEMBL24259667 0.78 NR1H4 (0.41) NR1H4
SCHEMBL24259400 0.77 NR1H4 (0.46) NR1H4HDAC6HDAC1HDAC8HDAC5
SCHEMBL24259674 0.77 NR1H4 (0.67) NR1H4HDAC6HDAC1HDAC8HDAC5
SCHEMBL24451775 0.77 HDAC1 (0.46) NR1H4HDAC6HDAC1HDAC8HDAC5
SCHEMBL22353672 0.76 NR1H4 (0.59) NR1H4
SCHEMBL24259355 0.76 NR1H4 (0.49) NR1H4HDAC1

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 NR1H4 2/4885GSK3B 156/4885HDAC6 477/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885GSK3B 156/4885HDAC6 477/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885GSK3B 156/4885HDAC6 477/4885

“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.