SCHEMBL24259419

SCHEMBL24259419

C=C(F)CCC(=O)N(CCCCCc1nc(C(C)(C)C)no1)c1cncc(-c2ccc3nc(C)sc3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 15/20 0.52
PIK3CG P48736 3/20 0.34
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
MAPT P10636 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
SCHEMBL24259274 0.87 NR1H4 (0.53) NR1H4
SCHEMBL24259556 0.86 NR1H4 (0.45) NR1H4HDAC2HDAC8
SCHEMBL24259423 0.81 NR1H4 (0.40) NR1H4MAPT
SCHEMBL24259435 0.81 HDAC2 (0.32) NR1H4HDAC2HDAC8MAPT
SCHEMBL24259343 0.80 NR1H4 (0.51) NR1H4MAPT
SCHEMBL24259037 0.80 NR1H4 (0.51) NR1H4MAPT
SCHEMBL24259383 0.78 NR1H4 (0.51) NR1H4
SCHEMBL24258960 0.76 NR1H4 (0.49) NR1H4MAPT
SCHEMBL24259475 0.75 NR1H4 (0.44) NR1H4MAPT
SCHEMBL24259458 0.75 NR1H4 (0.48) NR1H4HDAC2HDAC8MAPT

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 2/4885PIK3CG 2055/4885HDAC2 1068/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885PIK3CG 2055/4885HDAC2 1068/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885PIK3CG 2055/4885HDAC2 1068/4885

“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.