SCHEMBL19633927

SCHEMBL19633927

O=C(O)c1ccc([C@@H]2CC[C@H]2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)cc1

nearest known ligand 0.89

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 0.89
▸ FXR2 P51116 1/20 0.89
▸ HSD17B13 Q7Z5P4 1/20 0.67

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
Px-102 SCHEMBL29823470 0.94 NR1H4 (1.00) NR1H4FXR2
Px-102 SCHEMBL19633868 0.94 NR1H4 (1.00) NR1H4FXR2
Px-102 SCHEMBL29709582 0.94 NR1H4 (1.00) NR1H4FXR2
Px-102 SCHEMBL29366746 0.94 NR1H4 (1.00) NR1H4FXR2
Px-102 SCHEMBL17087856 0.94 NR1H4 (1.00) NR1H4FXR2
Px-102 SCHEMBL24662891 0.94 NR1H4 (1.00) NR1H4FXR2
Px-102 SCHEMBL17087855 0.94 NR1H4 (1.00) NR1H4FXR2
Px-102 SCHEMBL17087854 0.94 NR1H4 (1.00) NR1H4FXR2
Px-102 SCHEMBL17087850 0.94 NR1H4 (1.00) NR1H4FXR2
Px-102 SCHEMBL1164533 0.94 NR1H4 (1.00) NR1H4FXR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334893-A1 Isoxazole Analogs as FXR Agonists and Methods of Use Thereof ENANTA PHARMACEUTICALS, INC. 2017-11-23 — — 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 (1 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-20170334893-A1 Isoxazole Analogs as FXR Agonists and Methods of Use Thereof FXR1, SLC10A1, NR1H4 NR1H4 3/4885FXR2 4/4885HSD17B13 160/4885

“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.

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