SCHEMBL22060067

SCHEMBL22060067

CC(C)C(=O)NCc1ccc(C#N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.55
ERCC4 Q92889 1/20 0.55
EPHX2 P34913 1/20 0.55
LOXL2 Q9Y4K0 1/20 0.55
PTGES O14684 1/20 0.51
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
CYP19A1 P11511 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
MMP2 P08253 2/20 0.44
MMP3 P08254 2/20 0.44
PPARA Q07869 1/20 0.44
CYP2A6 P11509 1/20 0.44

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 0.86 ERCC1 (0.70) ERCC1ERCC4KMT2AMEN1CA1
SCHEMBL15899183 0.84 EPHX2 (0.50) EPHX2LOXL2SLC1A3SLC1A2KMT2A
SCHEMBL21169574 0.84 CNR1 (0.53) EPHX2LOXL2SLC1A2KMT2AMEN1
SCHEMBL6444359 0.82 LOXL2 (0.57) EPHX2LOXL2SLC1A3SLC1A2SAE1
SCHEMBL5685770 0.82 EPHX2 (0.48) EPHX2LOXL2SLC1A3SLC1A2CA12
SCHEMBL15899529 0.82 EPHX2 (0.48) EPHX2LOXL2SLC1A3SLC1A2KMT2A
SCHEMBL15308909 0.81 EPHX2 (0.47) EPHX2LOXL2PTGESSLC1A3SLC1A2
SCHEMBL3236429 0.81 EPHX2 (0.47) EPHX2LOXL2SLC1A3SLC1A2KMT2A
SCHEMBL7952703 0.81 EPHX2 (0.47) EPHX2LOXL2SLC1A3SLC1A2KMT2A
SCHEMBL5315293 0.81 LOXL2 (0.60) EPHX2LOXL2KMT2AMEN1SAE1

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
WO-2020150675-A1 COMPOUNDS AND USES THEREOF NUVATION BIO INC. (US) 2020-07-23 WO disclosed
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.