SCHEMBL20178561

SCHEMBL20178561

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

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 4/20 0.58
SCN9A Q15858 3/20 0.58
SMYD3 Q9H7B4 2/20 0.51
MRGPRX4 Q96LA9 1/20 0.51
CYP4F2 P78329 2/20 0.47
CYP4A11 Q02928 2/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SCN3A Q9NY46 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
PTPN1 P18031 1/20 0.44
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
BCL2 P10415 1/20 0.43
HDAC2 Q92769 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
SCHEMBL31310149 0.84 MRGPRX4 (0.49) KAT6ASCN9AMRGPRX4CYP4F2CYP4A11
SCHEMBL13141199 0.83 MRGPRX4 (0.48) KAT6ASCN9AMRGPRX4CYP4F2CYP4A11
SCHEMBL20178601 0.83 KAT6A (0.54) KAT6ASCN9ASMYD3ALDH1A1GAA
SCHEMBL12142424 0.83 HDAC6 (0.59) KAT6ASMYD3HSD17B10HDAC8HDAC6
SCHEMBL15672566 0.83 ALDH1A1 (0.50) KAT6ASCN9AMRGPRX4CYP4F2CYP4A11
SCHEMBL20178637 0.81 SMYD3 (0.55) KAT6ASCN9ASMYD3HDAC8HDAC6
SCHEMBL3348416 0.80 FLT1 (0.60) KAT6AALDH1A1GAA
SCHEMBL11818 0.80 PLK1 (0.61) KAT6ASMYD3MRGPRX4CYP4F2CYP4A11
SCHEMBL11216517 0.80 SMYD3 (0.60) KAT6ASMYD3CYP4F2CYP4A11ALDH1A1
SCHEMBL7973340 0.80 PLK1 (0.61) SCN9AALDH1A1GAAPTPN1

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

“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.