SCHEMBL24259652

SCHEMBL24259652

O=CCCCCc1noc(C(F)(F)F)n1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 6/20 0.32
HDAC6 Q9UBN7 4/20 0.32
HDAC1 Q13547 1/20 0.31
MIF P14174 1/20 0.31

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
SCHEMBL13838829 0.95 HDAC4 (0.33) HDAC4HDAC6HDAC1MIF
SCHEMBL24259625 0.88
SCHEMBL24258725 0.84 TSHR (0.31)
SCHEMBL20680138 0.78 CHRM2 (0.39) HDAC4HDAC6HDAC1
SCHEMBL25873964 0.78 HDAC4 (0.34) HDAC4HDAC6HDAC1MIF
SCHEMBL24452460 0.77 HDAC4 (0.41) HDAC4HDAC6MIF
SCHEMBL24602593 0.75 TSHR (0.33)
SCHEMBL24452400 0.74 CPT1A (0.31)
SCHEMBL24259635 0.72 HDAC4 (0.40) HDAC4HDAC6HDAC1
SCHEMBL22858812 0.72 ALDH1A1 (0.41) HDAC4HDAC6HDAC1MIF

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 4 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-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-26 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 (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-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 HDAC4 1028/4885HDAC6 477/4885HDAC1 998/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 HDAC4 1028/4885HDAC6 477/4885HDAC1 998/4885
US-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 HDAC4 1975/4885HDAC6 1043/4885HDAC1 1921/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 HDAC4 1028/4885HDAC6 477/4885HDAC1 998/4885

“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.