SCHEMBL17713402

SCHEMBL17713402

COC(=O)[C@@H](CCc1ccccc1)NC(=O)C(C)(C)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.55
CTSS P25774 3/20 0.55
KLK5 Q9Y337 2/20 0.48
ITGA4 P13612 1/20 0.44
ITGB7 P26010 1/20 0.44
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
MMP1 P03956 1/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
SYK P43405 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACE P12821 1/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41

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
SCHEMBL17713403 1.00 CTSK (0.55) CTSKCTSSKLK5ITGA4ITGB7
SCHEMBL8696199 0.91 CTSS (0.53) CTSKCTSSCTSLMMP1MMP3
SCHEMBL8696194 0.91 CTSS (0.53) CTSKCTSSCTSLMMP1MMP3
SCHEMBL8698935 0.91 CTSK (0.57) CTSKCTSSCTSLCTSBPPARA
SCHEMBL7370522 0.91 CTSK (0.57) CTSKCTSSCTSLCTSBPPARA
SCHEMBL6344320 0.88 CTSK (0.68) CTSKCTSSKLK5CTSLCTSB
SCHEMBL7032329 0.88 CTSK (0.68) CTSKCTSSKLK5CTSLCTSB
SCHEMBL12560624 0.88 CTSK (0.68) CTSKCTSSKLK5CTSLCTSB
SCHEMBL5247044 0.84 PPARA (0.59) CTSKCTSSKLK5CTSLCTSB
SCHEMBL5247053 0.84 PPARA (0.59) CTSKCTSSKLK5CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9901571-B2 Tetrahydropyrazolopyridine derivatives as ghrelin receptor agonists RAQUALIA PHARMA INC. (JP) 2018-02-27 US disclosed
US-20170304277-A1 TETRAHYDROPYRAZOLOPYRIDINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS RAQUALIA PHARMA INC. (JP) 2017-10-26 US disclosed
EP-3212648-A1 TETRAHYDROPYRAZOLOPYRIDINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS RaQualia Pharma Inc. (JP) 2017-09-06 EP disclosed
WO-2016067638-A1 TETRAHYDROPYRAZOLOPYRIDINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS RAQUALIA PHARMA INC. (JP) 2016-05-06 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 (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-20170304277-A1 TETRAHYDROPYRAZOLOPYRIDINE DERIVATIVES AS GHRELIN RECEPTOR AGONISTS GHSR, GHRHR, GIPR CTSK 3816/4885CTSS 3417/4885KLK5 2842/4885

“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.