SCHEMBL20178643

SCHEMBL20178643

CCCCCCCCc1ccc(C(=O)OC)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
NFKB1 P19838 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 2/20 0.61
MEN1 O00255 1/20 0.61
LMNA P02545 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
PKM P14618 1/20 0.61
ALOX15 P16050 1/20 0.61
TSHR P16473 1/20 0.61
THPO P40225 1/20 0.61
BLM P54132 1/20 0.61
PMP22 Q01453 1/20 0.61
KMT2A Q03164 1/20 0.61
HIF1A Q16665 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.55
MAPK1 P28482 1/20 0.51

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
SCHEMBL20178613 1.00 MAPT (0.61) MAPTNFKB1L3MBTL1KDM4EALDH1A1
SCHEMBL20178627 1.00 MAPT (0.61) MAPTNFKB1L3MBTL1KDM4EALDH1A1
SCHEMBL6724622 0.94 NFKB1 (0.69) MAPTNFKB1L3MBTL1KDM4EALDH1A1
SCHEMBL20730099 0.88 CYP4A11 (0.59) MAPTNFKB1L3MBTL1KDM4EALDH1A1
SCHEMBL21882778 0.88 MAPK1 (0.57) MAPTNFKB1L3MBTL1KDM4EALDH1A1
SCHEMBL22335925 0.87 CYP4A11 (0.60) MAPTNFKB1L3MBTL1KDM4EALDH1A1
SCHEMBL31753771 0.87 CYP4A11 (0.60) MAPTNFKB1L3MBTL1KDM4EALDH1A1
SCHEMBL5015000 0.85 MAPT (0.61) MAPTNFKB1L3MBTL1KDM4EALDH1A1
SCHEMBL1093083 0.85 CYP4A11 (0.59) MAPTNFKB1L3MBTL1KDM4EALDH1A1
SCHEMBL3597062 0.84 MAPK1 (0.53) MAPTNFKB1L3MBTL1KDM4EALDH1A1

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 MAPT 2493/4885NFKB1 2237/4885L3MBTL1 4819/4885
US-10597391-B2 Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof NR1H4, FXR1, SLC10A1 MAPT 2493/4885NFKB1 2237/4885L3MBTL1 4819/4885

“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.