SCHEMBL20118972

SCHEMBL20118972

COc1cc(C(=O)O)c(-c2cccnc2)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 1/20 0.53
MKNK1 Q9BUB5 3/20 0.52
MKNK2 Q9HBH9 3/20 0.52
S1PR1 P21453 2/20 0.51
CYP11B1 P15538 4/20 0.48
CYP11B2 P19099 4/20 0.48
ABCB1 P08183 2/20 0.48
ABCC1 P33527 2/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC2A1 P11166 1/20 0.46
PDE10A Q9Y233 1/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46

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
SCHEMBL20118975 0.88 SLC2A1 (0.54) KDM4ELMNAMKNK1MKNK2S1PR1
SCHEMBL20178604 0.84 MKNK1 (0.50) MKNK1MKNK2CYP11B1CYP11B2ABCB1
SCHEMBL20178565 0.83 MKNK1 (0.49) KDM4ELMNAHTTMKNK1MKNK2
SCHEMBL20178608 0.83 MKNK1 (0.49) KDM4ELMNAHTTMKNK1MKNK2
SCHEMBL23326169 0.80 MKNK1 (0.56) KDM4ELMNAHTTMKNK1MKNK2
SCHEMBL29775379 0.80 MKNK1 (0.56) KDM4ELMNAHTTMKNK1MKNK2
SCHEMBL31591513 0.78 MKNK1 (0.78) KDM4EMKNK1MKNK2CYP11B1CYP11B2
SCHEMBL30843888 0.78 MKNK1 (0.69) KDM4EMKNK1MKNK2CYP11B1CYP11B2
SCHEMBL4842336 0.78 SMN1; SMN2 (0.66) KDM4ELMNAHTTMKNK1MKNK2
SCHEMBL16053958 0.77 HCRTR1 (0.46) KDM4EPDE10A

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 KDM4E 4005/4885LMNA 4211/4885HTT 3363/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 KDM4E 4005/4885LMNA 4211/4885HTT 3363/4885

“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.