SCHEMBL7927995

SCHEMBL7927995

COc1ccc(C(=O)O)cc1NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 7/20 0.52
EPHX2 P34913 1/20 0.51
FABP5 Q01469 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL3206099 0.92 EPHX2 (0.52) LTB4REPHX2FABP5KMT2ALMNA
SCHEMBL18103625 0.90 EPHX2 (0.50) LTB4REPHX2FABP5KMT2AHDAC1
SCHEMBL30522780 0.87 EPHX2 (0.56) EPHX2FABP5KMT2AMEN1POLB
SCHEMBL25397265 0.87 EPHX2 (0.56) EPHX2FABP5KMT2AMEN1POLB
SCHEMBL570236 0.86 EPHX2 (0.53) EPHX2KMT2AMEN1PPARGGAA
SCHEMBL31173117 0.85 EPHX2 (0.52) EPHX2FABP5KMT2AMEN1LMNA
SCHEMBL29547060 0.85 EPHX2 (0.52) EPHX2FABP5KMT2AMEN1POLB
SCHEMBL29546978 0.85 EPHX2 (0.52) EPHX2FABP5KMT2AMEN1POLB
SCHEMBL26628373 0.85 EPHX2 (0.52) EPHX2FABP5KMT2AMEN1POLB
SCHEMBL3209502 0.85 EPHX2 (0.57) EPHX2FABP5KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160279108-A1 TARGETED MTOR INHIBITORS UNIVERSITY OF KANSAS (US) 2016-09-29 US disclosed
US-20160279108-A1 TARGETED MTOR INHIBITORS UNIVERSITY OF KANSAS (US) 2016-09-29 US disclosed
US-8802235-B2 Drug and imaging agent delivery compositions and methods UNIVERSITY OF KANSAS (US) 2014-08-12 US disclosed
US-20130189519-A1 Drug and Imaging Agent Delivery Compositions and Methods UNIVERSITY OF KANSAS (US) 2013-07-25 US disclosed
WO-2013109907-A1 DRUG AND IMAGING AGENT DELIVERY COMPOSITIONS AND METHODS UNIVERSITY OF KANSAS (US) 2013-07-25 WO disclosed
US-6228868-B1 ANTICARCINOGENIC AND ANTITUMOR AGENTS ABBOTT LABORATORIES 2001-05-08 US disclosed
WO-2000006556-A1 SUBSTITUTED OXAZOLINES AS ANTIPROLIFERATIVE AGENTS ABBOTT LABORATORIES (US) 2000-02-10 WO 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-20130189519-A1 Drug and Imaging Agent Delivery Compositions and Methods STARD10, STARD7, CASP10 LTB4R 1924/4885EPHX2 3282/4885FABP5 4631/4885

“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.