SCHEMBL24259265

SCHEMBL24259265

C=C(F)CCC(=O)N(CCCCCc1nc(C2CC2)no1)c1cncc(-c2ccc(NS(C)(=O)=O)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 13/20 0.52
PIP4K2A P48426 6/20 0.35
PIP4K2B P78356 6/20 0.35
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33

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
SCHEMBL24259491 0.86 NR1H4 (0.51) NR1H4AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL24259354 0.84 NR1H4 (0.52) NR1H4AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL24259274 0.82 NR1H4 (0.53) NR1H4AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL24259440 0.81 AKR1C4 (0.36) NR1H4AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL24258818 0.80 NR1H4 (0.44) NR1H4
SCHEMBL24259516 0.78 NR1H4 (0.49) NR1H4
SCHEMBL24258902 0.77 NR1H4 (0.45) NR1H4
SCHEMBL24258748 0.77 NR1H4 (0.39) NR1H4
SCHEMBL24259023 0.77 NR1H4 (0.47) NR1H4
SCHEMBL24259092 0.77 NR1H4 (0.49) 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 NR1H4 2/4885PIP4K2A 2548/4885PIP4K2B 2530/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885PIP4K2A 2548/4885PIP4K2B 2530/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885PIP4K2A 2548/4885PIP4K2B 2530/4885

“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.