SCHEMBL24258686

SCHEMBL24258686

COC(=O)CCCCc1nc(C2CC2)no1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.42
AKR1C4 P17516 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
AKR1C1 Q04828 1/20 0.42
HSD11B1 P28845 1/20 0.41
HDAC1 Q13547 3/20 0.40
HTT P42858 1/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
TSHR P16473 1/20 0.37
CNR2 P34972 1/20 0.37
HPGD P15428 1/20 0.36
LDHA P00338 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL24602576 0.92 CNR2 (0.44) MIFAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL24258804 0.85 AKR1C4 (0.44) AKR1C4AKR1C3AKR1C2AKR1C1HSD11B1
SCHEMBL31292171 0.81 HSD11B1 (0.44) MIFAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL24259680 0.81 MIF (0.36) MIFAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6326298 0.81 MIF (0.45) MIFAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL24258971 0.79 ALDH1A1 (0.43) HDAC1HTTHDAC2HDAC8L3MBTL1
SCHEMBL24452417 0.79 HDAC1 (0.43) HDAC1HDAC2HDAC8TSHRHPGD
SCHEMBL13492977 0.75 L3MBTL1 (0.41) AKR1C4AKR1C3AKR1C2AKR1C1HSD11B1
SCHEMBL22352584 0.75 HDAC1 (0.41) HDAC1HDAC2HDAC8TSHRHPGD
SCHEMBL24258815 0.75 HPGD (0.39) MIFTSHRHPGDL3MBTL1

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 MIF 940/4885AKR1C4 502/4885AKR1C3 344/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 MIF 940/4885AKR1C4 502/4885AKR1C3 344/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 MIF 940/4885AKR1C4 502/4885AKR1C3 344/4885

“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.