SCHEMBL20047486

SCHEMBL20047486

Cc1cc(C(C)(C)C)cc2sc(C(C)C)nc12

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
CASR P41180 1/20 0.30
HTR1D P28221 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
SCHEMBL20047402 0.84 ALDH1A1 (0.36) HSD17B10TRPV1TLR8TLR7CASR
SCHEMBL20047443 0.84 ALDH1A1 (0.33) TRPV1TLR8TLR7
SCHEMBL20047427 0.81 ALDH1A1 (0.32) TRPV1
SCHEMBL20047428 0.81 CACNA1H (0.35) TRPV1
SCHEMBL20047479 0.81 KCNN4 (0.34) TRPV1
SCHEMBL10220086 0.81 HSD17B10 (0.58) HSD17B10CASR
SCHEMBL20047523 0.79
SCHEMBL20048891 0.79 GAA (0.42) HSD17B10POLBTRPV1HTR1D
SCHEMBL20047450 0.78 ALDH1A1 (0.36) HSD17B10POLB
SCHEMBL20043171 0.77 HSD17B10 (0.41) HSD17B10POLBCASRHTR1D

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 HSD17B10 572/4885POLB 3719/4885TRPV1 956/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 HSD17B10 572/4885POLB 3719/4885TRPV1 956/4885

“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.