SCHEMBL22348226

SCHEMBL22348226

CC(F)(F)c1nc(C23CCC(CN(C(=O)C4CCC(F)(F)CC4)c4cccc(-c5ccc(S(C)(=O)=O)cc5)c4)(CC2)CC3)no1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.63
NR1I2 O75469 5/20 0.62
CYP2C9 P11712 5/20 0.62
CYP2C19 P33261 5/20 0.62
ABCB11 O95342 1/20 0.62
UGT1A1 P22309 1/20 0.62
FXR2 P51116 1/20 0.62
KCNH2 Q12809 1/20 0.62
SLCO1B3 Q9NPD5 1/20 0.62

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
SCHEMBL22348266 0.89 NR1H4 (0.50) NR1H4NR1I2CYP2C9CYP2C19ABCB11
SCHEMBL22348192 0.88 NR1H4 (0.68) NR1H4NR1I2CYP2C9CYP2C19ABCB11
SCHEMBL22348341 0.88 NR1H4 (0.77) NR1H4NR1I2CYP2C9CYP2C19ABCB11
SCHEMBL22348470 0.86 NR1H4 (0.57) NR1H4NR1I2CYP2C9CYP2C19ABCB11
SCHEMBL22348682 0.86 NR1H4 (0.57) NR1H4NR1I2CYP2C9CYP2C19ABCB11
SCHEMBL31608448 0.86 NR1H4 (0.57) NR1H4NR1I2CYP2C9CYP2C19ABCB11
SCHEMBL31608455 0.86 NR1H4 (0.54) NR1H4NR1I2CYP2C9CYP2C19ABCB11
SCHEMBL22348527 0.86 NR1H4 (0.54) NR1H4NR1I2CYP2C9CYP2C19ABCB11
SCHEMBL22348723 0.85 NR1H4 (0.58) NR1H4NR1I2CYP2C9CYP2C19ABCB11
SCHEMBL31608461 0.85 NR1H4 (0.58) NR1H4NR1I2CYP2C9CYP2C19ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12227496-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2025-02-18 US claimed
US-20230109670-A9 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-04-06 US claimed
US-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-26 US claimed
EP-3924337-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2021-12-22 EP claimed
WO-2020168148-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-20 WO claimed
US-12227496-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2025-02-18 US disclosed
US-20230109670-A9 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-04-06 US disclosed
US-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-26 US disclosed
US-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-26 US disclosed
EP-3924337-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2021-12-22 EP disclosed
WO-2020168148-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-20 WO disclosed
WO-2020168148-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-20 WO 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-12227496-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885NR1I2 8/4885CYP2C9 814/4885
US-20230109670-A9 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 NR1H4 2/4885NR1I2 8/4885CYP2C9 814/4885
US-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 NR1H4 2/4885NR1I2 8/4885CYP2C9 814/4885

“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.