SCHEMBL24259337

SCHEMBL24259337

C=C(F)CCC(=O)N(CCCCCC(=O)OC)c1cccc(-c2ccnc(OC)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.40
NR1H4 Q96RI1 12/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
LTB4R Q15722 1/20 0.39
CNR1 P21554 1/20 0.39
WNT3A P56704 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
SYK P43405 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
GPX4 P36969 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 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
SCHEMBL22352732 0.80 NR1H4 (0.54) NR1H4
SCHEMBL24258941 0.80 NR1H4 (0.50) PLCG1NR1H4ALDH1A1RAB9A
SCHEMBL24259195 0.80 NR1H4 (0.51) NR1H4
SCHEMBL24602589 0.80 MTNR1A (0.43) MTNR1AMTNR1BNPC1ALDH1A1TP53
SCHEMBL24259277 0.78 NR1H4 (0.40) PLCG1NR1H4LTB4RCNR1WNT3A
SCHEMBL24259119 0.77 NR1H4 (0.48) PLCG1NR1H4WNT3APTGDR2
SCHEMBL24259321 0.75 NR1H4 (0.41) NR1H4CNR1
SCHEMBL24259107 0.74 NR1H4 (0.47) NR1H4
SCHEMBL24452388 0.72 NR1H4 (0.55) NR1H4
SCHEMBL22352734 0.72 NR1H4 (0.55) NR1H4

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 PLCG1 1826/4885NR1H4 2/4885MTNR1A 555/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 PLCG1 1826/4885NR1H4 2/4885MTNR1A 555/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 PLCG1 1826/4885NR1H4 2/4885MTNR1A 555/4885

“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.