SCHEMBL24258945

SCHEMBL24258945

CC(=O)OCCCOCc1nc(C2CC2)no1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.39
HSD11B1 P28845 1/20 0.38
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
LDHA P00338 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
GABRA5 P31644 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HCRTR1 O43613 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
SCHEMBL24258793 0.80 ALOX5AP (0.37) HSD11B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL24258801 0.75 HDAC1 (0.38) HSD11B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL19245752 0.74 HSD11B1 (0.35) SIRT2HSD11B1AKR1C4AKR1C3AKR1C2
SCHEMBL17374147 0.73 HSD11B1 (0.34) SIRT2HSD11B1
SCHEMBL24258804 0.70 AKR1C4 (0.44) HSD11B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL31292171 0.69 HSD11B1 (0.44) HSD11B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL12159874 0.67 ALDH1A1 (0.41) HSD11B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL24258686 0.67 MIF (0.42) HSD11B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL10120678 0.66 POLB (0.47) HSD11B1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL2844204 0.65 ALDH1A1 (0.64) ALDH1A1GAA

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 SIRT2 2746/4885HSD11B1 47/4885AKR1C4 502/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 SIRT2 2746/4885HSD11B1 47/4885AKR1C4 502/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 SIRT2 2746/4885HSD11B1 47/4885AKR1C4 502/4885

“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.