SCHEMBL2139054

SCHEMBL2139054

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

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 4/20 0.62
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ATM Q13315 1/20 0.48
PTPN1 P18031 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HTR7 P34969 1/20 0.42
PLOD2 O00469 1/20 0.42
POLB P06746 2/20 0.42
RAD52 P43351 1/20 0.42
TSHR P16473 1/20 0.42
HSD11B1 P28845 1/20 0.41

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
SCHEMBL2142669 0.93 PDPK1 (0.72) PDPK1KMT2AMEN1ATMPTPN1
SCHEMBL2142907 0.93 PDPK1 (0.63) PDPK1KMT2AMEN1ATMRAD52
SCHEMBL2139929 0.92 KMT2A (0.59) PDPK1KMT2AMEN1ATMNPC1
SCHEMBL2142802 0.92 PDPK1 (0.55) PDPK1KMT2AMEN1POLB
SCHEMBL2140367 0.89 L3MBTL1 (0.55) PDPK1KMT2AMEN1NPC1RAB9A
SCHEMBL8876583 0.85 PDPK1 (0.54) PDPK1KMT2AMEN1ATMPOLB
SCHEMBL2141782 0.84 ALDH1A1 (0.57) PDPK1KMT2APOLB
SCHEMBL656058 0.83 PDPK1 (0.62) PDPK1KMT2AMEN1POLB
SCHEMBL8878618 0.82 PDPK1 (0.51) PDPK1KMT2AMEN1ATMNPC1
SCHEMBL8877683 0.80 PDPK1 (0.49) PDPK1RAD52TSHRHSD11B1

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 4324/4885KMT2A 2297/4885MEN1 1821/4885

“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.