SCHEMBL8301018

SCHEMBL8301018

CCCCOCn1cnc2c(=O)[nH]c(Cl)nc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 7/20 0.55
▸ TSHR P16473 2/20 0.55
▸ HBB P68871 2/20 0.55
▸ BLM P54132 2/20 0.55
▸ USP2 O75604 1/20 0.55
▸ EDNRA P25101 1/20 0.55
▸ HTR2A P28223 1/20 0.55
▸ RECQL P46063 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ HPRT1 P00492 5/20 0.54
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ MAPK1 P28482 1/20 0.47
▸ POLG P54098 1/20 0.46
▸ PDE5A O76074 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ VCP P55072 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
SCHEMBL12786353 0.88 PNP (0.57) PNPTSHRHBBBLMUSP2
SCHEMBL15293655 0.85 PNP (0.55) PNPTSHRHBBBLMUSP2
SCHEMBL12786355 0.85 PNP (0.76) PNPTSHRHBBBLMUSP2
SCHEMBL11247928 0.85 PNP (0.75) PNPTSHRHBBBLMUSP2
Phosphoric Acid SCHEMBL11320512 0.81 PNP (0.69) PNPTSHRHBBBLMUSP2
SCHEMBL8302051 0.81 CNOT7 (0.41) PNPTSHRHBBBLMUSP2
SCHEMBL3424722 0.80 PDE1A (0.55) PNPHPRT1PDE5APDE1APDE1B
SCHEMBL26199546 0.80 PNP (0.47) PNPTSHRHBBBLMUSP2
SCHEMBL8665621 0.80 PNP (0.71) PNPTSHRHBBBLMUSP2
Phosphoric Acid SCHEMBL11324110 0.80 PNP (0.67) PNPTSHRHBBBLMUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687625-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-30 — — US disclosed
US-7550590-B2 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-23 — — US disclosed
US-20040242568-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-02 — — US disclosed
WO-2004087053-A9 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX INC (US) 2004-11-11 — — WO disclosed
WO-2004087053-A2 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX, INC. (US) 2004-10-14 — — 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-20040242568-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 PNP 177/4885TSHR 442/4885HBB 2486/4885

“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.

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