SCHEMBL3969170

SCHEMBL3969170

O=C(O)C(C(=O)O)N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.48
GAA P10253 1/20 0.45
FDPS P14324 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 4/20 0.38
CYP1A2 P05177 4/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2C19 P33261 3/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 3/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 2/20 0.35
TSHR P16473 2/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
KCNA5 P22460 2/20 0.34
KCNH2 Q12809 2/20 0.34

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
Ammonia Solution, Strong SCHEMBL10713045 0.97 DPP7 (0.47) DPP7GAAFDPSLMNAALDH1A1
SCHEMBL11173567 0.97 DPP7 (0.45) DPP7GAAFDPSLMNAALDH1A1
SCHEMBL8417412 0.85 DPP7 (0.47) DPP7GAAFDPSLMNAALDH1A1
SCHEMBL208329 0.82 DPP7 (0.44) DPP7GAAFDPSLMNA
SCHEMBL11687527 0.78 DPP7 (0.48) DPP7GAAFDPSLMNAALDH1A1
SCHEMBL26986914 0.78 DPP7 (0.48) DPP7GAAFDPSLMNAALDH1A1
SCHEMBL3559523 0.78 DPP7 (0.48) DPP7GAAFDPSLMNAALDH1A1
SCHEMBL20589146 0.77 DPP7 (0.41) DPP7GAALMNAALDH1A1CYP2C19
SCHEMBL3174465 0.76 HPGD (0.37) DPP7GAALMNAALDH1A1KMT2A
SCHEMBL14639380 0.76 ALDH1A1 (0.58) GAALMNAALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042372-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE SPA (IT) 2004-07-14 EP claimed
US-7595317-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-29 US disclosed
US-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 US disclosed
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES DUAN JINGWU 2007-07-19 US disclosed
US-20030229084-A1 Barbituric acid derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY 2003-12-11 US disclosed
WO-2003053941-A2 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-ALPHA CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO disclosed
US-4421914-A IMMUNE FUNCTION REGULATORS TEIJIN LIMITED (JP) 1983-12-20 US disclosed
EP-0049902-A2 Novel thiazolo(3,2-a)pyrimidines, derivatives thereof, processes for production thereof, and pharmaceutical use thereof TEIJIN LIMITED (JP) 1982-04-21 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-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES TNF, MMP9, MMP3 DPP7 623/4885GAA 62/4885FDPS 2686/4885
US-20030229084-A1 Barbituric acid derivatives as inhibitors of TNF-alpha converting enzyme (TACE) and/or matrix metalloproteinases TNF, MMP3, TIMP3 DPP7 613/4885GAA 93/4885FDPS 2516/4885

“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.