SCHEMBL21264346

SCHEMBL21264346

Clc1cccc(Cl)c1-c1noc(C2CC2)c1COC1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.62
FABP1 P07148 5/20 0.56
FABP4 P15090 1/20 0.54
GPBAR1 Q8TDU6 1/20 0.54
HSD17B13 Q7Z5P4 1/20 0.52

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
SCHEMBL25515551 0.99 NR1H4 (0.61) NR1H4FABP1FABP4GPBAR1HSD17B13
SCHEMBL21703707 0.98 NR1H4 (0.62) NR1H4FABP1FABP4GPBAR1HSD17B13
SCHEMBL20859126 0.92 NR1H4 (0.60) NR1H4FABP1FABP4GPBAR1HSD17B13
SCHEMBL1097117 0.90 NR1H4 (0.56) NR1H4FABP1FABP4GPBAR1HSD17B13
SCHEMBL1095590 0.90 NR1H4 (0.59) NR1H4FABP1FABP4GPBAR1HSD17B13
SCHEMBL21244299 0.90 NR1H4 (0.59) NR1H4FABP1FABP4GPBAR1HSD17B13
SCHEMBL21244300 0.90 NR1H4 (0.59) NR1H4FABP1FABP4GPBAR1HSD17B13
SCHEMBL20859080 0.90 NR1H4 (0.62) NR1H4FABP1FABP4GPBAR1HSD17B13
SCHEMBL17856157 0.90 NR1H4 (0.62) NR1H4FABP1FABP4GPBAR1HSD17B13
Hydrochloric Acid SCHEMBL1096131 0.89 NR1H4 (0.55) NR1H4FABP1FABP4GPBAR1HSD17B13

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-10829486-B2 Isoxazole derivatives as FXR agonists and methods of use thereof ENANTA PHARMACUETICALS, INC. (US) 2020-11-10 US disclosed
WO-2019160813-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2019-08-22 WO disclosed
US-20190248777-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2019-08-15 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-20190248777-A1 ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, SLC10A1, FXR1 NR1H4 1/4885FABP1 24/4885FABP4 415/4885
US-10829486-B2 Isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, SLC10A1, FXR1 NR1H4 1/4885FABP1 24/4885FABP4 415/4885

“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.