SCHEMBL381076

SCHEMBL381076

CCOC(=O)CCNc1ccc(C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
TOP2A P11388 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 5/20 0.47
TDP1 Q9NUW8 2/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 1/20 0.42
CASP3 P42574 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL380632 0.88 ALDH1A1 (0.53) POLBTOP2AL3MBTL1MAPTTDP1
SCHEMBL11397372 0.88 TSHR (0.61) POLBL3MBTL1MAPTTDP1LMNA
SCHEMBL9829525 0.85 MAPT (0.53) POLBTOP2AMAPTTDP1LMNA
SCHEMBL537869 0.85 TOP2A (0.62) POLBTOP2AL3MBTL1ALDH1A1GAA
Hydrochloric Acid SCHEMBL7130173 0.84 TOP2A (0.61) POLBTOP2AL3MBTL1ALDH1A1GAA
SCHEMBL11815924 0.84 POLB (0.60) POLBL3MBTL1MAPTTDP1LMNA
SCHEMBL11020358 0.84 TOP2A (0.50) POLBTOP2AL3MBTL1MAPTTDP1
SCHEMBL9830217 0.84 MAPT (0.55) POLBTOP2AMAPTTDP1LMNA
SCHEMBL4824465 0.83 TOP2A (0.49) POLBTOP2AL3MBTL1MAPTTDP1
SCHEMBL3171431 0.83 POLB (0.51) POLBTOP2AL3MBTL1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476253-B2 Amide derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-20120071467-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
EP-2409977-A1 AMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2012-01-25 EP disclosed
EP-0767792-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-5977101-A Benzimidazoles/Imidazoles Linked to a Fibrinogen Receptor Antagonist Template Having Vitronectin Receptor Antagonist Activity SMITHKLINE BEECHAM CORPORATION (US) 1999-11-02 US disclosed
US-5756519-A Fibrinogen receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1998-05-26 US disclosed
EP-0800395-A4 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1998-04-29 EP disclosed
EP-0800395-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-10-15 EP disclosed
EP-0767792-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-16 EP disclosed
WO-1996019222-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-06-27 WO disclosed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 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-20120071467-A1 AMIDE DERIVATIVE CHRM3, CHRM2, TACR2 POLB 4710/4885TOP2A 4208/4885L3MBTL1 1614/4885

“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.