SCHEMBL24259635

SCHEMBL24259635

COC(=O)CCCCc1noc(C(F)(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 14/20 0.40
HDAC6 Q9UBN7 8/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.37
S1PR1 P21453 1/20 0.36
HDAC1 Q13547 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
SCHEMBL24259589 0.92 TSHR (0.38) HDAC4HDAC6PKMTSHRHPGD
SCHEMBL22354242 0.90 TSHR (0.37) HDAC4HDAC6PKMTSHRHPGD
SCHEMBL24258991 0.87 TSHR (0.39) PKMTSHRHPGD
SCHEMBL20469590 0.84 PPARA (0.38) HDAC4HDAC6HDAC1
SCHEMBL24602749 0.80 TSHR (0.42) TSHRHPGDHDAC1
SCHEMBL2222989 0.79 ALDH1A1 (0.40) HDAC4HDAC6HDAC1
SCHEMBL989859 0.78 HDAC6 (0.34) HDAC4HDAC6HDAC1
SCHEMBL14919184 0.78 L3MBTL1 (0.57) HDAC4HDAC6TSHRHDAC1
SCHEMBL24452406 0.77 CPT1A (0.34) PKMTSHRHPGDS1PR1HDAC1
SCHEMBL24259603 0.76 TSHR (0.36) TSHRHPGD

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 477/4885PKM 2220/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 HDAC4 1028/4885HDAC6 477/4885PKM 2220/4885
US-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 HDAC4 1975/4885HDAC6 1043/4885PKM 2413/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 HDAC4 1028/4885HDAC6 477/4885PKM 2220/4885

“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.