SCHEMBL24259119

SCHEMBL24259119

C=C(F)CCC(=O)N(CCCOCc1ccc(C(C)(C)C#N)cc1)c1cccc(-c2ccnc(OC)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 12/20 0.48
LTB4R2 Q9NPC1 2/20 0.34
PLCG1 P19174 1/20 0.34
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
SLC13A5 Q86YT5 1/20 0.32
FGFR1 P11362 1/20 0.32
KDR P35968 1/20 0.32
MTOR P42345 1/20 0.32
WNT3A P56704 1/20 0.32

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
SCHEMBL24258792 0.85 NR1H4 (0.64) NR1H4
SCHEMBL24259076 0.85 NR1H4 (0.64) NR1H4
SCHEMBL24259337 0.77 PLCG1 (0.40) NR1H4PLCG1PTGDR2WNT3A
SCHEMBL24259015 0.77 NR1H4 (0.41) NR1H4PLCG1SLC13A5MTORWNT3A
SCHEMBL24258941 0.71 NR1H4 (0.50) NR1H4PLCG1
SCHEMBL24259195 0.71 NR1H4 (0.51) NR1H4
SCHEMBL24258707 0.69 NR1H4 (0.42) NR1H4CYP2C9CYP2C19
SCHEMBL24258950 0.66 NR1H4 (0.44) NR1H4CYP2C9CYP2C19
SCHEMBL24259277 0.65 NR1H4 (0.40) NR1H4PLCG1WNT3A
SCHEMBL22347859 0.65 NR1H4 (1.00) 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 2/4885LTB4R2 216/4885PLCG1 1826/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885LTB4R2 216/4885PLCG1 1826/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885LTB4R2 216/4885PLCG1 1826/4885

“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.