SCHEMBL20173758

SCHEMBL20173758

CC(C)c1cccc(C(=O)NS(=O)(=O)C2CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 3/20 0.52
SCN9A Q15858 14/20 0.46
TP53BP1 Q12888 1/20 0.45
SCN5A Q14524 6/20 0.45
SCN2B O60939 2/20 0.45
SCN1B Q07699 2/20 0.45
SCN1A P35498 1/20 0.45
BRAF P15056 1/20 0.44
PTGER3 P43115 1/20 0.42

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
SCHEMBL16361274 0.82 SCN9A (0.49) SCN9ASCN5ASCN2BSCN1BSCN1A
SCHEMBL20118985 0.81 HDAC8 (0.58) KAT6ASCN9ASCN5ASCN2BSCN1B
SCHEMBL13209252 0.81 KAT6A (0.58) KAT6ASCN9ATP53BP1BRAFPTGER3
SCHEMBL20173762 0.78 CA2 (0.56) BRAF
SCHEMBL30436806 0.78 SCN2B (0.58) KAT6ASCN9ASCN5ASCN2BSCN1B
SCHEMBL20178637 0.78 SMYD3 (0.55) KAT6ASCN9ASCN5ASCN2BSCN1B
SCHEMBL20173765 0.77 ACHE (0.45)
SCHEMBL20173760 0.77 KAT6A (0.54) KAT6ASCN9ATP53BP1PTGER3
SCHEMBL3808268 0.77 HDAC3 (0.50) KAT6ASCN9ASCN5A
SCHEMBL14367222 0.77 HDAC6 (0.59) KAT6ATP53BP1

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 KAT6A 2864/4885SCN9A 2939/4885TP53BP1 4448/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 KAT6A 2864/4885SCN9A 2939/4885TP53BP1 4448/4885

“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.