SCHEMBL24259047

SCHEMBL24259047

C=C(CCF)C(=O)N(CCOCCC(=O)O)c1cccc(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
RXRG P48443 2/20 0.39
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
ESR1 P03372 1/20 0.34
NR3C1 P04150 1/20 0.34
PGR P06401 1/20 0.34
NR3C2 P08235 1/20 0.34
AR P10275 1/20 0.34
LMNA P02545 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
KMT2A Q03164 3/20 0.32
FFAR1 O14842 2/20 0.32
FFAR4 Q5NUL3 2/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 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
SCHEMBL24258809 0.85 RAD52 (0.35) RXRARXRBRXRGMTNR1AMTNR1B
SCHEMBL24602602 0.84 LMNA (0.41) RXRARXRBRXRGMTNR1AMTNR1B
SCHEMBL24259367 0.78 ALDH1A1 (0.35) MTNR1AMTNR1BLMNAALDH1A1KMT2A
SCHEMBL24259294 0.77 MLYCD (0.37) MTNR1AMTNR1BLMNAALDH1A1KMT2A
SCHEMBL24259121 0.75 ALDH1A1 (0.36) MTNR1AMTNR1BTHRBLMNAALDH1A1
SCHEMBL24602625 0.74 NPC1 (0.32) MTNR1AMTNR1BALDH1A1
SCHEMBL24258994 0.70 PAX8 (0.36) RXRARXRBRXRGMTNR1AMTNR1B
SCHEMBL24602563 0.70 POLB (0.31) ALDH1A1KMT2AMAPTATM
SCHEMBL22353640 0.66 NR1H4 (0.35)
SCHEMBL24259266 0.66 LMNA (0.43) RXRARXRBRXRGMTNR1AMTNR1B

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 RXRA 38/4885RXRB 35/4885RXRG 32/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 RXRA 38/4885RXRB 35/4885RXRG 32/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 RXRA 38/4885RXRB 35/4885RXRG 32/4885

“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.