SCHEMBL2142802

SCHEMBL2142802

O=C(CC(c1ccc(Cl)cc1)C(C(=O)O)C(=O)O)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 5/20 0.55
POLB P06746 2/20 0.54
KMT2A Q03164 2/20 0.52
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
MEN1 O00255 1/20 0.47
CYP2D6 P10635 1/20 0.47
TP53 P04637 1/20 0.46
SLC6A9 P48067 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44
L3MBTL1 Q9Y468 2/20 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
SCHEMBL2139054 0.92 PDPK1 (0.62) PDPK1POLBKMT2AMEN1
SCHEMBL656058 0.92 PDPK1 (0.62) PDPK1POLBKMT2ACYP2C9CYP2C19
SCHEMBL657707 0.87 PDPK1 (0.56) PDPK1POLBKMT2ACYP2C9CYP2C19
SCHEMBL2142907 0.86 PDPK1 (0.63) PDPK1KMT2AMEN1L3MBTL1
SCHEMBL658265 0.86 PDPK1 (0.72) PDPK1POLBKMT2ACYP2C9CYP2C19
SCHEMBL2142669 0.86 PDPK1 (0.72) PDPK1KMT2AMEN1L3MBTL1
SCHEMBL2141563 0.86 PDPK1 (0.63) PDPK1POLBKMT2ACYP2C9CYP2C19
SCHEMBL10256955 0.85 POLB (0.72) PDPK1POLBKMT2ACYP2C9CYP2C19
SCHEMBL657374 0.85 KMT2A (0.72) PDPK1POLBKMT2ACYP2C9CYP2C19
SCHEMBL657492 0.85 PDPK1 (0.76) PDPK1POLBKMT2ACYP2C9CYP2C19

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-2258477-B1 CATALYST AND MICHAEL ADDITION REACTION PROCESS JAPAN SCIENCE & TECH AGENCY (JP) 2015-03-25 EP disclosed
US-8222177-B2 Catalyst and reaction process JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2012-07-17 US disclosed
US-20110054190-A1 CATALYST AND REACTION PROCESS JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-03-03 US disclosed
EP-2258477-A1 CATALYST AND REACTION PROCESS Japan Science and Technology Agency (JP) 2010-12-08 EP disclosed
WO-2009096409-A1 CATALYST AND REACTION PROCESS JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2009-08-06 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-20110054190-A1 CATALYST AND REACTION PROCESS ME1, MAL2, ME2 PDPK1 4324/4885POLB 859/4885KMT2A 2297/4885

“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.