SCHEMBL21882596

SCHEMBL21882596

COC(=O)c1cnc2ccc(C(C)S)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
PSMD14 O00487 1/20 0.44
OGA O60502 2/20 0.43
HPGDS O60760 5/20 0.42
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
F2 P00734 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38
MGAM O43451 1/20 0.37
MAPT P10636 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
SCHEMBL20173757 0.89 ALOX15 (0.50) ALOX15HTTPSMD14OGAHPGDS
SCHEMBL10466162 0.82 HTT (0.67) ALOX15HTTPSMD14HPGDSMAPK1
SCHEMBL18370004 0.81 HTT (0.57) ALOX15HTTHPGDSMAPK1KDM4E
SCHEMBL20178580 0.80 ALOX15 (0.52) ALOX15HTTPSMD14HPGDSMAPK1
SCHEMBL20118976 0.79 ALOX15 (0.54) ALOX15HTTPSMD14HPGDSMAPK1
SCHEMBL1353856 0.79 ALOX15 (0.54) ALOX15HTTPSMD14HPGDSMAPK1
SCHEMBL31250404 0.79 ALOX15 (0.54) ALOX15HTTPSMD14HPGDSMAPK1
SCHEMBL12184392 0.77 ALOX15 (0.52) ALOX15HTTPSMD14HPGDSMAPK1
SCHEMBL15517731 0.77 HTT (0.52) ALOX15HTTPSMD14HPGDSMAPK1
SCHEMBL20799517 0.77 ALDH1A1 (0.62) ALOX15HTTHPGDSALDH1A1F2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-03-24 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 (1 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-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 ALOX15 1041/4885HTT 3363/4885PSMD14 3755/4885

“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.