SCHEMBL20178637

SCHEMBL20178637

CCc1cccc(C(=O)NS(=O)(=O)C2CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.55
KAT6A Q92794 2/20 0.52
SCN9A Q15858 11/20 0.46
SCN5A Q14524 5/20 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
SMN1; SMN2 Q16637 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 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
SCHEMBL20118985 0.81 HDAC8 (0.58) KAT6ASCN9ASCN5ASCN2BSCN1B
SCHEMBL20178561 0.81 KAT6A (0.58) SMYD3KAT6ASCN9AHDAC8HDAC6
SCHEMBL15601953 0.79 KAT6A (0.46) SMYD3KAT6ABRAF
SCHEMBL20178589 0.78 SMN1; SMN2 (0.60) SMN1; SMN2HDAC8HDAC6
SCHEMBL30436806 0.78 SCN2B (0.58) KAT6ASCN9ASCN5ASCN2BSCN1B
SCHEMBL20173758 0.78 KAT6A (0.52) KAT6ASCN9ASCN5ASCN2BSCN1B
SCHEMBL20178559 0.77 SMN1; SMN2 (0.40) SMN1; SMN2
SCHEMBL20178601 0.77 KAT6A (0.54) SMYD3KAT6ASCN9ASMN1; SMN2HDAC8
SCHEMBL12142424 0.77 HDAC6 (0.59) SMYD3KAT6AHDAC8HDAC6
SCHEMBL3808268 0.77 HDAC3 (0.50) KAT6ASCN9ASCN5AHDAC8HDAC6

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 2 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

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 SMYD3 3843/4885KAT6A 2864/4885SCN9A 2939/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 SMYD3 3843/4885KAT6A 2864/4885SCN9A 2939/4885

“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.