SCHEMBL20119239

SCHEMBL20119239

CC(C)c1cccc(C(=O)NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 3/20 0.57
HTT P42858 1/20 0.51
FLT1 P17948 4/20 0.50
FLT4 P35916 4/20 0.50
KDR P35968 4/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PSMB8 P28062 1/20 0.49
PSMB5 P28074 1/20 0.49
HDAC3 O15379 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC11 Q96DB2 2/20 0.48
TP53BP1 Q12888 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
EPHX2 P34913 1/20 0.46
NLRP3 Q96P20 1/20 0.46
UQCRB P14927 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL21882580 0.86 KAT6A (0.61) KAT6AHTTFLT1FLT4KDR
SCHEMBL20119681 0.83 KCNK3 (0.60) KAT6AFLT1FLT4KDRLMNA
SCHEMBL20178523 0.80 KAT6A (0.57) KAT6AFLT1FLT4KDRLMNA
SCHEMBL13209252 0.77 KAT6A (0.58) KAT6AHTTLMNAKMT2ATP53BP1
SCHEMBL26704182 0.77 LMNA (0.61) FLT1FLT4KDRLMNAMEN1
SCHEMBL12201959 0.76 PTGS2 (0.66) FLT1FLT4KDRLMNAMEN1
SCHEMBL12459522 0.73 EPHX2 (0.53) FLT1FLT4KDRLMNAMEN1
SCHEMBL20173760 0.73 KAT6A (0.54) KAT6AHTTLMNAMEN1KMT2A
SCHEMBL14367222 0.73 HDAC6 (0.59) KAT6AHDAC3HDAC8HDAC6TP53BP1
SCHEMBL18311197 0.73 KAT6A (1.00) KAT6AGAA

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 4 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
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 KAT6A 2864/4885HTT 3363/4885FLT1 3940/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 KAT6A 2864/4885HTT 3363/4885FLT1 3940/4885

“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.