SCHEMBL20178601

SCHEMBL20178601

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 3/20 0.54
SMYD3 Q9H7B4 2/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SCN9A Q15858 3/20 0.45
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.44
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
GAA P10253 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MEP1B Q16820 1/20 0.40

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
SCHEMBL20178561 0.83 KAT6A (0.58) KAT6ASMYD3SCN9AALDH1A1LOXL2
SCHEMBL16747271 0.81 PLK1 (0.56) SCN9AALDH1A1NPC1SMN1; SMN2HPGD
SCHEMBL10763198 0.80 HTT (0.48) MEN1KMT2ASCN9AALDH1A1RAB9A
SCHEMBL20118983 0.80 HDAC8 (0.62) KAT6AMEN1KMT2ARAB9ANPC1
SCHEMBL12142424 0.79 HDAC6 (0.59) KAT6ASMYD3HSD17B10HDAC8HDAC6
SCHEMBL30755385 0.77 HDAC1 (0.52) KAT6AMEN1KMT2ASCN9AALDH1A1
SCHEMBL20178573 0.77 MAPT (0.53) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL20178637 0.77 SMYD3 (0.55) KAT6ASMYD3SCN9ASMN1; SMN2HDAC8
SCHEMBL20119312 0.77 SMN1; SMN2 (0.45) MEN1KMT2ASCN9AALDH1A1RAB9A
SCHEMBL20173760 0.77 KAT6A (0.54) KAT6AMEN1KMT2ASCN9AALDH1A1

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 2864/4885SMYD3 3843/4885MEN1 4363/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 KAT6A 2864/4885SMYD3 3843/4885MEN1 4363/4885

“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.