SCHEMBL20178604

SCHEMBL20178604

CCc1cc(-c2cccnc2)c(C(=O)O)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 3/20 0.50
MKNK2 Q9HBH9 3/20 0.50
CYP11B1 P15538 3/20 0.47
CYP11B2 P19099 3/20 0.47
ABCB1 P08183 3/20 0.46
ABCC1 P33527 3/20 0.46
EGFR P00533 1/20 0.46
FGFR1 P11362 1/20 0.46
KDR P35968 1/20 0.46
ALDH1A1 P00352 1/20 0.45
RECQL P46063 1/20 0.44
PDE10A Q9Y233 1/20 0.44
NPC1 O15118 2/20 0.44
KDM4C Q9H3R0 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ERN1 O75460 1/20 0.43
POLB P06746 1/20 0.43
CYP1A2 P05177 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
SCHEMBL20118978 0.89 KDM4E (0.51) MKNK1MKNK2CYP11B1CYP11B2ABCB1
SCHEMBL20118972 0.84 KDM4E (0.53) MKNK1MKNK2CYP11B1CYP11B2ABCB1
SCHEMBL23326187 0.82 MKNK1 (0.56) MKNK1MKNK2CYP11B1CYP11B2EGFR
SCHEMBL29775420 0.82 MKNK1 (0.56) MKNK1MKNK2CYP11B1CYP11B2EGFR
SCHEMBL20178565 0.81 MKNK1 (0.49) MKNK1MKNK2CYP11B1CYP11B2ABCB1
SCHEMBL20178608 0.81 MKNK1 (0.49) MKNK1MKNK2CYP11B1CYP11B2ABCB1
SCHEMBL29775344 0.78 CYP11B1 (0.54) MKNK1MKNK2CYP11B1CYP11B2EGFR
SCHEMBL23326295 0.78 CYP11B1 (0.54) MKNK1MKNK2CYP11B1CYP11B2EGFR
SCHEMBL20178622 0.76 KMO (0.47) MKNK1MKNK2ALDH1A1NPC1MAPT
SCHEMBL31591513 0.76 MKNK1 (0.78) MKNK1MKNK2CYP11B1CYP11B2ABCB1

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 MKNK1 2992/4885MKNK2 2603/4885CYP11B1 268/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 MKNK1 2992/4885MKNK2 2603/4885CYP11B1 268/4885

“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.