SCHEMBL2037515

SCHEMBL2037515

COC(=O)CCCCN(C(=O)OC(C)(C)C)c1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HDAC1 Q13547 8/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
HDAC9 Q9UKV0 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL2042846 0.88 POLB (0.47) SMN1; SMN2GAAL3MBTL1HDAC1HDAC2
SCHEMBL6300484 0.86 POLB (0.43) SMN1; SMN2MEN1GAAKMT2AHDAC1
SCHEMBL7503707 0.85 POLB (0.48) SMN1; SMN2HSD17B10ALDH1A1MAPK1MEN1
SCHEMBL26574069 0.85 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MAPK1MEN1GAA
SCHEMBL8486574 0.84 POLB (0.48) SMN1; SMN2MEN1GAAKMT2AHDAC1
SCHEMBL24341715 0.84 CNR1 (0.38) SMN1; SMN2HSD17B10ALDH1A1MAPK1MEN1
SCHEMBL6563271 0.84 POLB (0.46) SMN1; SMN2MEN1GAAKMT2AHDAC1
SCHEMBL20025128 0.84 POLB (0.47) SMN1; SMN2MEN1GAAKMT2AHDAC1
SCHEMBL17282042 0.83 POLB (0.37) SMN1; SMN2HSD17B10ALDH1A1MAPK1HDAC1
SCHEMBL6302650 0.82 POLB (0.43) SMN1; SMN2MEN1GAAKMT2AHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2512523-A1 LABELLED INTEGRIN BINDERS GE Healthcare UK Limited (GB) 2012-10-24 EP disclosed
US-20120244074-A1 LABELLED INTEGRIN BINDERS GE HEALTHCARE LIMITED (GB) 2012-09-27 US disclosed
WO-2011073340-A1 LABELLED INTEGRIN BINDERS GE HEALTHCARE LIMITED (GB) 2011-06-23 WO disclosed
US-7119098-B2 Heteroarylakanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION (US) 2006-10-10 US disclosed
US-6933304-B2 Heteroarylalkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION (US) 2005-08-23 US disclosed
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION 2004-05-13 US disclosed
EP-1289983-A2 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Corporation (US) 2003-03-12 EP disclosed
US-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION 2002-09-19 US disclosed
WO-2001096334-A2 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2001-12-20 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 (3 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-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists ITGA5, ITGA2B, ITGAV SMN1; SMN2 3712/4885HSD17B10 1734/4885ALDH1A1 669/4885
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists ITGA5, ITGB7, ITGA2B SMN1; SMN2 4329/4885HSD17B10 1402/4885ALDH1A1 834/4885
US-20120244074-A1 LABELLED INTEGRIN BINDERS ITGAV, ITGB6, ITGA2B SMN1; SMN2 2504/4885HSD17B10 4672/4885ALDH1A1 2257/4885

“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.