SCHEMBL3607588

SCHEMBL3607588

CCCCC(NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.47
ACE P12821 1/20 0.44
CPA1 P15085 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
CNR2 P34972 1/20 0.43
CA2 P00918 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.42
CTSK P43235 4/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSH P09668 1/20 0.42
CTSS P25774 1/20 0.42
KIF11 P52732 1/20 0.42
HSD17B10 Q99714 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
SCHEMBL7168982 0.90 MME (0.45) MMECNR2POLBKIF11KCNN4
SCHEMBL19668526 0.84 ALDH1A1 (0.42) CNR2MEN1ALDH1A1KMT2AKCNN4
SCHEMBL16570048 0.84 ALDH1A1 (0.42) CNR2MEN1ALDH1A1KMT2AKCNN4
SCHEMBL2742288 0.83 KCNN4 (0.46) MMEACECPA1ACE2MEN1
SCHEMBL29422004 0.83 MMP2 (0.52) ACECA2KIF11MMP2
SCHEMBL29908038 0.82 NPSR1 (0.43) CNR2ALDH1A1KMT2ASMN1; SMN2KIF11
SCHEMBL28500174 0.81 NPSR1 (0.42) MMEACEACE2CNR2KIF11
SCHEMBL29478394 0.81 NPSR1 (0.42) MMEACEACE2CNR2KIF11
SCHEMBL4627986 0.81 NAALAD2 (0.51) ALDH1A1NPSR1
SCHEMBL4627982 0.81 NAALAD2 (0.51) ALDH1A1NPSR1

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
US-7741044-B2 Libraries of oligomers labeled with different tags OXFORD GENE TECHNOLOGY IP LIMITED 2010-06-22 US disclosed
US-20090029866-A1 Libraries of oligomers labeled with different tags OXFORD GENE TECHNOLOGY IP LIMITED 2009-01-29 US disclosed
US-7399846-B2 Libraries of oligomers labeled with different tags OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2008-07-15 US disclosed
US-20050003408-A1 Libraries of oligomers labeled with different tags ISIS INNOVATION LIMITED (GB) 2005-01-06 US disclosed
US-6780981-B1 MAKING A SET OF LABELLED COMPOUNDS BY THE USE OF PARTICULATE SUPPORT, COMPRISES DIVIDING THE SUPPORT INTO LOTS, PERFORMING A DIFFERENT CHEMICAL REACTION ON EACH LOT OF THE SUPPORT OXFORD GENE TECHNOLOGY IP LIMITED (GB) 2004-08-24 US disclosed
EP-1428810-A2 Libraries of oligomers labelled with different tags Oxford Gene Technology IP Limited (GB) 2004-06-16 EP disclosed
EP-1068216-B1 LIBRARIES OF OLIGOMERS LABELLED WITH DIFFERENT TAGS ISIS INNOVATION (GB) 2003-12-10 EP disclosed
US-5618938-A Process for preparing stereo isomers of neurokinin receptor antagonists SANOFI (FR) 1997-04-08 US disclosed
US-5317020-A Neurokinin receiver antagonist as antiinflammatory agents SANOFI (FR) 1994-05-31 US 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-20090029866-A1 Libraries of oligomers labeled with different tags FBL, HNRNPL, MTREX MME 916/4885ACE 3865/4885CPA1 3100/4885

“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.