SCHEMBL20173766

SCHEMBL20173766

CC(C)c1cccc(OC(=O)NS(=O)(=O)N(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.53
BCHE P06276 6/20 0.53
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FAAH O00519 1/20 0.43

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
SCHEMBL20118989 0.82 LMNA (0.53) ACHEBCHEALDH1A1LMNAFAAH
SCHEMBL20173765 0.79 ACHE (0.45) ACHEBCHE
SCHEMBL20178579 0.78 ACHE (0.44) ACHEBCHESMN1; SMN2
SCHEMBL29358693 0.78 ACHE (0.71) ACHEBCHEKDM4EALDH1A1LMNA
SCHEMBL5933261 0.78 ACHE (0.71) ACHEBCHEKDM4EALDH1A1LMNA
SCHEMBL25820322 0.77 ACHE (0.54) ACHEBCHEKDM4EALDH1A1LMNA
SCHEMBL20173760 0.76 KAT6A (0.54) ALDH1A1LMNASMN1; SMN2
3-Isopropylphenyl Dimethylcarbamate SCHEMBL26378341 0.75 ACHE (0.77) ACHEBCHELMNAFAAH
SCHEMBL28119215 0.74 ACHE (0.51) ACHEBCHEKDM4EALDH1A1LMNA
SCHEMBL25847360 0.74 BCHE (0.51) ACHEBCHEALDH1A1SMN1; SMN2FAAH

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 ACHE 4086/4885BCHE 1491/4885KDM4E 4005/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 ACHE 4086/4885BCHE 1491/4885KDM4E 4005/4885

“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.