SCHEMBL22059618

SCHEMBL22059618

CSc1ccc(CNC(=O)C(C)C)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.57
ERCC4 Q92889 1/20 0.57
EPHX2 P34913 1/20 0.54
NR1H4 Q96RI1 1/20 0.54
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 2/20 0.50
PTGES O14684 1/20 0.50
GAA P10253 1/20 0.50
SLC6A4 P31645 3/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.45
MLLT3 P42568 1/20 0.45
MLLT1 Q03111 1/20 0.45
CYP1A2 P05177 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
SCHEMBL12131750 0.87 ERCC1 (0.70) ERCC1ERCC4MAPTGAAMEN1
SCHEMBL24558042 0.82 ERCC1 (0.64) ERCC1ERCC4MAPTALDH1A1MEN1
SCHEMBL22060051 0.81 PTPRZ1 (0.64) ERCC1ERCC4EPHX2NR1H4MAPT
SCHEMBL12757443 0.80 KMT2A (0.63) ERCC1ERCC4NPC1RAB9AALDH1A1
SCHEMBL18887748 0.80 ERCC1 (0.67) ERCC1ERCC4MAPTMEN1KMT2A
SCHEMBL29260504 0.80 MAPT (0.59) EPHX2NR1H4NPC1MAPTRAB9A
SCHEMBL22060015 0.80 ERCC1 (0.62) ERCC1ERCC4EPHX2MAPTMEN1
SCHEMBL12134066 0.80 ERCC1 (0.62) ERCC1ERCC4MAPTRAB9AALDH1A1
SCHEMBL6017524 0.80 KMT2A (0.59) EPHX2NR1H4NPC1MAPTRAB9A
SCHEMBL25657185 0.79 EPHX2 (0.48) EPHX2NR1H4NPC1MAPTRAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200172473-A1 DUAL MODULATORS OF FARNESOID X RECEPTOR AND SOLUBLE EPOXIDE HYDROLASE JOHANN WOLFGANG GOETHE-UNIVERSITAET FRANKFURT AM MAIN (DE) 2020-06-04 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 (1 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-20200172473-A1 DUAL MODULATORS OF FARNESOID X RECEPTOR AND SOLUBLE EPOXIDE HYDROLASE NR1H4, NR1H3, NR1H2 ERCC1 2685/4885ERCC4 1558/4885EPHX2 6/4885

“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.