SCHEMBL2140367

SCHEMBL2140367

COc1ccc(C(CC(=O)c2ccc(F)cc2)C(C(=O)O)C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
GAA P10253 2/20 0.52
LMNA P02545 2/20 0.52
HPGD P15428 1/20 0.52
PDPK1 O15530 3/20 0.51
ALDH1A1 P00352 3/20 0.51
FFAR1 O14842 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
HTT P42858 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CRHBP P24387 1/20 0.49
CYP2C19 P33261 1/20 0.49
CRHR2 Q13324 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SLC6A9 P48067 2/20 0.48
SLC6A5 Q9Y345 2/20 0.48

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 0.89 PDPK1 (0.62) PDPK1KMT2AMEN1NPC1RAB9A
SCHEMBL2140616 0.87 PDPK1 (0.67) L3MBTL1GAALMNAPDPK1ALDH1A1
SCHEMBL2138586 0.87 L3MBTL1 (0.71) L3MBTL1GAALMNAPDPK1ALDH1A1
SCHEMBL2141782 0.85 ALDH1A1 (0.57) L3MBTL1LMNAPDPK1ALDH1A1KMT2A
SCHEMBL2139929 0.85 KMT2A (0.59) L3MBTL1LMNAPDPK1ALDH1A1KMT2A
SCHEMBL2142907 0.83 PDPK1 (0.63) L3MBTL1GAALMNAHPGDPDPK1
SCHEMBL2142669 0.83 PDPK1 (0.72) L3MBTL1LMNAHPGDPDPK1ALDH1A1
SCHEMBL2142802 0.82 PDPK1 (0.55) L3MBTL1PDPK1KMT2AMEN1CYP2D6
SCHEMBL2225839 0.81 L3MBTL1 (0.53) L3MBTL1ALDH1A1FFAR1KMT2ACYP1A2
SCHEMBL8876583 0.78 PDPK1 (0.54) L3MBTL1PDPK1KMT2AMEN1HTT

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 L3MBTL1 2658/4885GAA 438/4885LMNA 4105/4885

“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.