SCHEMBL2827575

SCHEMBL2827575

COC(=O)c1ccc(/C=C/C(=O)O)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.54
CTSB P07858 4/20 0.54
TNFRSF1A P19438 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAPT P10636 5/20 0.53
APP P05067 1/20 0.52
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
ABCG2 Q9UNQ0 1/20 0.51
ATM Q13315 2/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HPGD P15428 2/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL2827580 1.00 CTSL (0.54) CTSLCTSBTNFRSF1ATDP1MAPT
SCHEMBL8890648 0.88 ABCG2 (0.55) TDP1MAPTALDH1A1KMT2AMEN1
SCHEMBL8890644 0.88 ABCG2 (0.55) TDP1MAPTALDH1A1KMT2AMEN1
SCHEMBL6825655 0.83 KDM4E (0.52) TDP1MAPTALDH1A1ATMKDM4E
SCHEMBL2824325 0.82 MIF (0.58) MAPTALDH1A1KMT2AMEN1ATM
SCHEMBL2824327 0.82 MIF (0.58) MAPTALDH1A1KMT2AMEN1ATM
SCHEMBL644569 0.81 MAPT (0.63) TDP1MAPTALDH1A1KMT2AMEN1
SCHEMBL79457 0.80 MAPT (0.79) TNFRSF1ATDP1MAPTALDH1A1KMT2A
SCHEMBL1171573 0.80 APP (0.74) CTSLCTSBTDP1MAPTAPP
SCHEMBL9222741 0.80 ALDH1A1 (0.63) CTSLCTSBTNFRSF1ATDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 EP 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 (2 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-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A CTSL 1737/4885CTSB 683/4885TNFRSF1A 3744/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A CTSL 1294/4885CTSB 514/4885TNFRSF1A 4022/4885

“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.