SCHEMBL2042846

SCHEMBL2042846

CC(C)(C)OC(=O)N(CCCCC(=O)O)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
HDAC1 Q13547 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC6 Q9UBN7 3/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
BLM P54132 1/20 0.41
CYP2D6 P10635 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.40
OPRM1 P35372 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL8486574 0.96 POLB (0.48) POLBHDAC1HDAC2HDAC6HDAC3
SCHEMBL6563271 0.89 POLB (0.46) POLBHDAC1HDAC2HDAC6HDAC3
SCHEMBL2037515 0.88 SMN1; SMN2 (0.46) POLBHDAC1HDAC2HDAC6HDAC3
SCHEMBL6300484 0.88 POLB (0.43) POLBHDAC1HDAC2HDAC6HDAC3
SCHEMBL20025128 0.86 POLB (0.47) POLBHDAC1HDAC2HDAC6HDAC3
SCHEMBL6566582 0.85 POLB (0.47) POLBLMNATSHROPRM1GAA
SCHEMBL6302650 0.84 POLB (0.43) POLBHDAC1HDAC2HDAC6HDAC3
SCHEMBL17282348 0.83 TSHR (0.39) FFAR4LMNATSHROPRM1SMN1; SMN2
SCHEMBL19317381 0.83 POLB (0.49) POLBLMNATSHRGAASMN1; SMN2
SCHEMBL7500028 0.83 POLB (0.52) POLBLMNATSHRGAASMN1; SMN2

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
WO-2015179823-A2 LUNG LOCALIZED INHIBITORS OF ALPHA(V)BETA 6 THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-11-26 WO disclosed
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
CN-102652023-A Labelled integrin binders GE HEALTHCARE LTD 2012-08-29 CN 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 POLB 4645/4885HDAC1 917/4885HDAC2 974/4885
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists ITGA5, ITGB7, ITGA2B POLB 4640/4885HDAC1 1127/4885HDAC2 962/4885
US-20120244074-A1 LABELLED INTEGRIN BINDERS ITGAV, ITGB6, ITGA2B POLB 4333/4885HDAC1 962/4885HDAC2 1281/4885

“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.