SCHEMBL20178618

SCHEMBL20178618

CCCCCc1ccc(C(=O)OC)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MGLL Q99685 4/20 0.47
NPC1 O15118 1/20 0.46
CASP1 P29466 1/20 0.46
RAB9A P51151 1/20 0.46
MDH1 P40925 1/20 0.46
PRSS1 P07477 1/20 0.46
ACR P10323 1/20 0.46
DPP4 P27487 2/20 0.45
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
ERAP2 Q6P179 1/20 0.44
LNPEP Q9UIQ6 1/20 0.44
RARB P10826 1/20 0.44
MAPT P10636 3/20 0.44

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
SCHEMBL19304427 0.95 L3MBTL1 (0.48) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL25933615 0.89 DPP4 (0.48) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL31753749 0.88 CYP4A11 (0.59) ALDH1A1KMT2ANPC1DPP4CYP4F2
SCHEMBL15174008 0.87 MGLL (0.47) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL2654943 0.87 CYP4A11 (0.57) ALDH1A1KMT2ANPC1DPP4CYP4F2
SCHEMBL26239641 0.85 MGLL (0.50) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL21616267 0.85 MDH1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1MDH1
SCHEMBL4123831 0.84 DPP4 (0.51) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL3653076 0.83 DPP4 (0.51) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL27359234 0.83 NPC1 (0.56) ALDH1A1KMT2AKDM4EHPGDNPC1

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 2 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

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 ALDH1A1 2185/4885MEN1 4363/4885KMT2A 4586/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 ALDH1A1 2185/4885MEN1 4363/4885KMT2A 4586/4885

“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.