SCHEMBL20119681

SCHEMBL20119681

Cc1cccc(C(=O)NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.60
LMNA P02545 2/20 0.56
KAT6A Q92794 1/20 0.54
FLT1 P17948 4/20 0.53
FLT4 P35916 4/20 0.53
KDR P35968 4/20 0.53
HDAC8 Q9BY41 3/20 0.53
HDAC6 Q9UBN7 3/20 0.53
PTGS2 P35354 3/20 0.51
HDAC3 O15379 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
KMT2A Q03164 2/20 0.51
HSD17B2 P37059 2/20 0.50
MEN1 O00255 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
EGFR P00533 1/20 0.50
EPHX2 P34913 1/20 0.49

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
SCHEMBL9179605 0.87 PTGS2 (0.64) KAT6AFLT1FLT4KDRHDAC8
SCHEMBL9179058 0.84 KAT6A (0.74) KCNK3LMNAKAT6AFLT1FLT4
SCHEMBL12201959 0.84 PTGS2 (0.66) LMNAFLT1FLT4KDRHDAC8
SCHEMBL20178523 0.83 KAT6A (0.57) LMNAKAT6AFLT1FLT4KDR
SCHEMBL20119239 0.83 KAT6A (0.57) LMNAKAT6AFLT1FLT4KDR
SCHEMBL28864025 0.82 KAT6A (0.52) LMNAKAT6AFLT1FLT4KDR
SCHEMBL26704182 0.80 LMNA (0.61) LMNAFLT1FLT4KDRHDAC8
SCHEMBL28684588 0.79 ALKBH2 (0.62) LMNAKAT6AFLT1FLT4KDR
SCHEMBL23447722 0.78 FFAR1 (0.61) KCNK3LMNAKAT6AFLT1FLT4
SCHEMBL9178342 0.78 KAT6A (0.77) KAT6AHDAC8HDAC6KMT2AMEN1

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
WO-2018081285-A1 UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-05-03 WO 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 KCNK3 3253/4885LMNA 4211/4885KAT6A 2864/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 KCNK3 3253/4885LMNA 4211/4885KAT6A 2864/4885

“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.