SCHEMBL20047590

SCHEMBL20047590

CCCCCCCC(C)(CCCCCCC)c1cncs1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.33
CNR1 P21554 3/20 0.33
SMPD1 P17405 2/20 0.30
FDPS P14324 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
SCHEMBL22023773 1.00 CNR2 (0.33) CNR2CNR1SMPD1FDPS
SCHEMBL18799823 1.00 CNR2 (0.33) CNR2CNR1SMPD1FDPS
SCHEMBL21191748 1.00 CNR2 (0.33) CNR2CNR1SMPD1FDPS
SCHEMBL21893355 0.98 CNR2 (0.33) CNR2CNR1
SCHEMBL24676640 0.97 CNR2 (0.32) CNR2CNR1
SCHEMBL22024188 0.97 CNR2 (0.30) CNR2CNR1
SCHEMBL22964748 0.93 CNR2 (0.32) CNR2CNR1
SCHEMBL21398067 0.93 HDAC8 (0.30)
SCHEMBL21191752 0.86 CNR2 (0.38) CNR2CNR1
SCHEMBL25627108 0.85 HDAC8 (0.32)

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 CNR2 485/4885CNR1 410/4885SMPD1 1155/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 CNR2 485/4885CNR1 410/4885SMPD1 1155/4885

“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.