SCHEMBL20178998

SCHEMBL20178998

CCOC(=O)c1ccc2nc(NC(=O)N3C4CCC(COCc5c(-c6c(Cl)cccc6Cl)noc5C5CC5)C3CC4)sc2c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 17/20 0.48
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ STAT1 P42224 1/20 0.42

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
SCHEMBL20178908 0.92 NR1H4 (0.58) NR1H4
SCHEMBL20173931 0.86 NR1H4 (0.57) NR1H4
SCHEMBL20178877 0.80 NR1H4 (0.53) NR1H4
SCHEMBL21264195 0.78 NR1H4 (0.59) NR1H4
SCHEMBL20173933 0.78 NR1H4 (0.68) NR1H4
SCHEMBL20043358 0.77 NR1H4 (0.52) NR1H4NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL20049221 0.76 NR1H4 (0.48) NR1H4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL20178809 0.76 NR1H4 (0.48) NR1H4
SCHEMBL20043331 0.75 NR1H4 (0.55) NR1H4
SCHEMBL28699389 0.75 NR1H4 (0.66) NR1H4

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 NR1H4 1/4885NPC1 89/4885RAB9A 2852/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 NR1H4 1/4885NPC1 89/4885RAB9A 2852/4885

“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.

Send feedback