SCHEMBL4893768

SCHEMBL4893768

CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C=CC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
KMT2A Q03164 3/20 0.41
CASP3 P42574 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MDM2 Q00987 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
MDM4 O15151 1/20 0.37
TP53 P04637 1/20 0.37
NPC1 O15118 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL4893765 1.00 EPHX2 (0.43) EPHX2KMT2ACASP3CYP3A4CYP2C19
SCHEMBL3026489 0.86 EPHX2 (0.57) EPHX2KMT2ACASP3RAB9AMAPT
SCHEMBL3026492 0.86 EPHX2 (0.57) EPHX2KMT2ACASP3RAB9AMAPT
SCHEMBL30946961 0.86 EPHX2 (0.57) EPHX2KMT2ACASP3RAB9AMAPT
SCHEMBL879811 0.77 EPHX2 (0.49) EPHX2KMT2ACYP3A4CYP2C19RAB9A
SCHEMBL29503775 0.77 KMT2A (0.54) EPHX2KMT2ACASP3MDM4TP53
SCHEMBL29362505 0.77 KMT2A (0.54) EPHX2KMT2ACASP3MDM4TP53
SCHEMBL119779 0.77 KMT2A (0.54) EPHX2KMT2ACASP3MDM4TP53
SCHEMBL15341324 0.76 KMT2A (0.51) EPHX2KMT2ACASP3
SCHEMBL27443155 0.76 KMT2A (0.56) EPHX2KMT2ACASP3MDM4TP53

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-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 EPHX2 1731/4885KMT2A 3406/4885CASP3 760/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH EPHX2 3066/4885KMT2A 1805/4885CASP3 3087/4885

“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.