SCHEMBL24259487

SCHEMBL24259487

COC(=O)CCCCc1ncc(Br)cn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
HPGD P15428 2/20 0.41
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
IDO1 P14902 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.36

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
SCHEMBL4203638 0.78 HSP90AB1 (0.40) TSHRHPGDCYP11B1CYP11B2ALDH1A1
SCHEMBL17593254 0.73 IDO1 (0.53) TSHRHPGDCYP11B1CYP11B2MEN1
SCHEMBL3380937 0.73 ALDH1A1 (0.46) TSHRHPGDCYP11B1CYP11B2ALDH1A1
SCHEMBL5208255 0.73 TSHR (0.50) TSHRHPGDSMN1; SMN2LMNAMEN1
SCHEMBL21293608 0.72 CYP1A2 (0.47) TSHRHPGDALDH1A1SMN1; SMN2LMNA
SCHEMBL19782742 0.71 TSHR (0.41) TSHRHPGDCYP11B1CYP11B2ALDH1A1
SCHEMBL2358419 0.71 RAB9A (0.39) HPGDALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL18534286 0.71 CYP11B1 (0.48) TSHRHPGDCYP11B1CYP11B2ALDH1A1
SCHEMBL14891469 0.71 TSHR (0.44) TSHRHPGDCYP11B1CYP11B2ALDH1A1
SCHEMBL15894460 0.70 RAB9A (0.41) HPGDALDH1A1RAB9ASMN1; SMN2LMNA

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 TSHR 798/4885HPGD 962/4885CYP11B1 52/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 TSHR 798/4885HPGD 962/4885CYP11B1 52/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 TSHR 798/4885HPGD 962/4885CYP11B1 52/4885

“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.