SCHEMBL20174007

SCHEMBL20174007

CCOC(=O)c1ccc(NC(=O)N2C3CCC2CC(NCc2c(-c4c(Cl)cccc4Cl)noc2C2CC2)C3)cc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 17/20 0.48
▸ TP53 P04637 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL20174014 0.93 NR1H4 (0.48) NR1H4
SCHEMBL20174009 0.91 NR1H4 (0.48) NR1H4
SCHEMBL20174008 0.89 NR1H4 (0.54) NR1H4
SCHEMBL20178827 0.89 NR1H4 (0.45) NR1H4
SCHEMBL20174058 0.88 NR1H4 (0.61) NR1H4
SCHEMBL20173849 0.88 NR1H4 (0.61) NR1H4
SCHEMBL20119270 0.84 TP53 (0.48) NR1H4TP53MAPTTDP1L3MBTL1
SCHEMBL20174010 0.84 NR1H4 (0.53) NR1H4
SCHEMBL20174011 0.83 NR1H4 (0.53) NR1H4
SCHEMBL20178832 0.83 NR1H4 (0.53) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-03-24 — — US disclosed
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-05-24 — — US disclosed
US-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-05-24 — — 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-20180141941-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF NR1H4, FXR1, SLC10A1 NR1H4 1/4885TP53 4394/4885MAPT 2493/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 NR1H4 1/4885TP53 4394/4885MAPT 2493/4885

“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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