SCHEMBL1401562

SCHEMBL1401562

NCc1cccc2c1oc1c(CCC(=O)O)cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
SLC11A2 P49281 1/20 0.42
PTGER1 P34995 2/20 0.41
PTGER4 P35408 2/20 0.41
PTGER3 P43115 2/20 0.41
PTGER2 P43116 2/20 0.41
GLA P06280 1/20 0.41
STING1 Q86WV6 1/20 0.41
ALOX5 P09917 1/20 0.40
FFAR1 O14842 2/20 0.38
AKR1B1 P15121 1/20 0.38
KEAP1 Q14145 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL13990693 0.92 PARP1 (0.51) PARP1SLC11A2PTGER1PTGER4PTGER3
SCHEMBL30320123 0.91 PARP1 (0.46) PARP1SLC11A2PTGER1PTGER4PTGER3
SCHEMBL198085 0.91 PARP1 (0.46) PARP1SLC11A2PTGER1PTGER4PTGER3
SCHEMBL7877902 0.84 GLA (0.56) SLC11A2GLASTING1ALOX5AKR1B1
SCHEMBL3798516 0.81 ALOX5 (0.57) PARP1PTGER1PTGER4PTGER3PTGER2
SCHEMBL26977479 0.81 F13A1 (0.47) PARP1SLC11A2GLASTING1MAPT
SCHEMBL26977641 0.79 F13A1 (0.50) GLASTING1MAPT
SCHEMBL14252816 0.79 CYP4F2 (0.57) PARP1GLASTING1ALDH1A1HSD17B10
SCHEMBL3860960 0.79 ALOX5 (0.42) PARP1SLC11A2PTGER1PTGER4PTGER3
SCHEMBL3860950 0.77 CYP1A2 (0.45) PARP1PTGER1PTGER4PTGER3PTGER2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844070-B1 PEPTIDES WITH NEUROPEPTIDE-2 RECEPTOR (Y2R) AGONIST ACTIVITY HOFFMANN LA ROCHE (CH) 2011-03-02 EP claimed
JP-2008527017-A 2008-07-24 JP claimed
EP-1844070-A1 PEPTIDES WITH NEUROPEPTIDE-2 RECEPTOR (Y2R) AGONIST ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP claimed
WO-2006077035-A9 PEPTIDES WITH NEUROPEPTIDE-2 RECEPTOR (Y2R) AGONIST ACTIVITY HOFFMANN LA ROCHE (CH) 2006-10-26 WO claimed
WO-2006077035-A1 PEPTIDES WITH NEUROPEPTIDE-2 RECEPTOR (Y2R) AGONIST ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2006-07-27 WO claimed
US-20060160742-A1 Neuropeptide-2 receptor (Y-2R) agonists and uses thereof DANHO WALEED 2006-07-20 US claimed
EP-1844070-B1 PEPTIDES WITH NEUROPEPTIDE-2 RECEPTOR (Y2R) AGONIST ACTIVITY HOFFMANN LA ROCHE (CH) 2011-03-02 EP disclosed
US-7410949-B2 Genetically engineered truncated analogs of significantly lower-molecular-weight and having equal or better potency, pharmacokinetic properties and pharmacological properties as existing Y2R agonists; also pegylated analogs; treating obesity; dietetics; metabolic disorders HOFFMANN-LA ROCHE INC. (US) 2008-08-12 US disclosed
EP-1844070-A1 PEPTIDES WITH NEUROPEPTIDE-2 RECEPTOR (Y2R) AGONIST ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP disclosed
WO-2006077035-A9 PEPTIDES WITH NEUROPEPTIDE-2 RECEPTOR (Y2R) AGONIST ACTIVITY HOFFMANN LA ROCHE (CH) 2006-10-26 WO disclosed
WO-2006077035-A1 PEPTIDES WITH NEUROPEPTIDE-2 RECEPTOR (Y2R) AGONIST ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2006-07-27 WO disclosed
US-20060160742-A1 Neuropeptide-2 receptor (Y-2R) agonists and uses thereof DANHO WALEED 2006-07-20 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-20060160742-A1 Neuropeptide-2 receptor (Y-2R) agonists and uses thereof NPY2R, NPY1R, NPY4R PARP1 3876/4885SLC11A2 1075/4885PTGER1 563/4885

“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.