SCHEMBL20043517

SCHEMBL20043517

CC1(S(=O)(=O)NC(=O)c2ccc3nc(N4C5CCC4CC(NCc4c(-c6ccccc6C(F)(F)F)noc4C4CC4)C5)sc3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 0.52
▸ CYP3A4 P08684 1/20 0.41

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
SCHEMBL20049109 0.98 NR1H4 (0.53) NR1H4
SCHEMBL20043518 0.91 NR1H4 (0.49) NR1H4
SCHEMBL20043486 0.91 NR1H4 (0.64) NR1H4
SCHEMBL20047751 0.91 NR1H4 (0.49) NR1H4CYP3A4
SCHEMBL20043500 0.91 NR1H4 (0.58) NR1H4CYP3A4
SCHEMBL20049253 0.90 NR1H4 (0.46) NR1H4
SCHEMBL20043508 0.90 NR1H4 (0.55) NR1H4
SCHEMBL20049504 0.90 NR1H4 (0.61) NR1H4
SCHEMBL20049310 0.89 NR1H4 (0.56) NR1H4CYP3A4
SCHEMBL20049108 0.88 NR1H4 (0.55) NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-06-15 — — US disclosed
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
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 (3 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 NR1H4 3/4885CYP3A4 418/4885
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 NR1H4 3/4885CYP3A4 418/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 NR1H4 3/4885CYP3A4 418/4885

“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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