SCHEMBL20173757

SCHEMBL20173757

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.50
PSMD14 O00487 1/20 0.46
HPGDS O60760 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.44
OGA O60502 2/20 0.44
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC6 Q9UBN7 5/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
F2 P00734 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL21882596 0.89 ALOX15 (0.48) ALOX15HTTPSMD14HPGDSNPC1
SCHEMBL18370004 0.89 HTT (0.57) ALOX15HTTHPGDSNPC1RAB9A
SCHEMBL10466162 0.85 HTT (0.67) ALOX15HTTPSMD14HPGDSNPC1
SCHEMBL20173756 0.84 MGAM (0.57) PSMD14OGAHDAC6SMN1; SMN2
SCHEMBL19966737 0.82 HPGDS (0.50) PSMD14HPGDSNPC1RAB9AHDAC6
SCHEMBL31250404 0.81 ALOX15 (0.54) ALOX15HTTPSMD14HPGDSNPC1
SCHEMBL20118976 0.81 ALOX15 (0.54) ALOX15HTTPSMD14HPGDSNPC1
SCHEMBL1353856 0.81 ALOX15 (0.54) ALOX15HTTPSMD14HPGDSMAPK1
SCHEMBL12184392 0.79 ALOX15 (0.52) ALOX15HTTPSMD14HPGDSNPC1
SCHEMBL20178580 0.79 ALOX15 (0.52) ALOX15HTTPSMD14HPGDSNPC1

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-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-03-24 US disclosed
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-05-24 US disclosed
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-05-24 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 (2 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-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, FXR1, SLC10A1 ALOX15 1041/4885HTT 3363/4885PSMD14 3755/4885
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.