SCHEMBL16397974

SCHEMBL16397974

NC(Cc1ccc(F)cc1)[C@H](C(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
FABP5 Q01469 3/20 0.40
FABP7 O15540 2/20 0.40
MDM4 O15151 1/20 0.39
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
PIN1 Q13526 1/20 0.38
EPHX2 P34913 1/20 0.37
PTPN1 P18031 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CPA1 P15085 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
SCHEMBL28054561 1.00 KMT2A (0.41) KMT2AFABP5FABP7MDM4TP53
SCHEMBL29036117 0.92 KMT2A (0.45) KMT2AFABP5FABP7MDM4TP53
SCHEMBL2358897 0.88 MDM2 (0.43) KMT2AFABP5FABP7MDM2PPARG
SCHEMBL2311742 0.88 MDM2 (0.43) KMT2AFABP5FABP7MDM2PPARG
SCHEMBL18989109 0.85 ANPEP (0.40) KMT2AFABP5FABP7TP53PPARG
SCHEMBL28094649 0.84 SLC1A3 (0.42) KMT2AFABP5FABP7PPARGPPARA
SCHEMBL1514601 0.84 FABP5 (0.43) KMT2AFABP5FABP7PPARGPPARA
SCHEMBL7128599 0.82 KMT2A (0.47) KMT2AFABP5FABP7MDM4TP53
SCHEMBL28888234 0.81 KMT2A (0.46) KMT2AFABP5FABP7MDM4TP53
SCHEMBL3590767 0.80 KMT2A (0.43) KMT2AFABP5FABP7MDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022200-B1 NEW ANTI-MALARIAL AGENTS MEDICINES FOR MALARIA VENTURE MMV (CH) 2017-03-01 EP disclosed
US-9464057-B2 Anti-malarial agents MMV MEDICINES FOR MALARIA VENTURE (CH) 2016-10-11 US disclosed
US-20160194286-A1 NEW ANTI-MALARIAL AGENTS UNIVERSITY OF WASHINGTON 2016-07-07 US disclosed
EP-3022200-A1 NEW ANTI-MALARIAL AGENTS MMV Medicines for Malaria Venture (CH) 2016-05-25 EP disclosed
WO-2015008246-A1 NEW ANTI-MALARIAL AGENTS MMV MEDICINES FOR MALARIA VENTURE (CH) 2015-01-22 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-20160194286-A1 NEW ANTI-MALARIAL AGENTS CYP51A1, QDPR, G6PD KMT2A 1992/4885FABP5 3530/4885FABP7 4570/4885

“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.