SCHEMBL20047719

SCHEMBL20047719

CC(C)c1cc(OC(F)(F)F)c2nc(C(C)(C)C)sc2c1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.30
SCN4A P35499 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL20047500 0.85 CRHR1 (0.32) NPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL20043176 0.82 TRPV1 (0.30) NPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL23502448 0.80 HSD17B10 (0.37) NPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL20047664 0.79 NPC1 (0.32) NPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL21161373 0.79 RAB9A (0.33) NPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL23502494 0.76 GABRA1 (0.36) NPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL23502495 0.76 NPC1 (0.40) NPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL20049394 0.76 ALDH1A1 (0.36) NPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL23502489 0.73 NPC1 (0.32) NPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL20047479 0.73 KCNN4 (0.34)

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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 US disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 NPC1 52/4885SCN4A 3314/4885RAB9A 2692/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 NPC1 52/4885SCN4A 3314/4885RAB9A 2692/4885

“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.