SCHEMBL9280447

SCHEMBL9280447

O=C(NCCc1ccc(Cl)cc1)C1CCCN1C(=O)C1CCCN1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.69
ALDH1A1 P00352 3/20 0.54
CASP1 P29466 1/20 0.54
HSD17B10 Q99714 1/20 0.54
FKBP1A P62942 3/20 0.50
MAPT P10636 2/20 0.50
TSHR P16473 2/20 0.50
HTT P42858 1/20 0.50
GPBAR1 Q8TDU6 3/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
F2 P00734 1/20 0.48

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
SCHEMBL9280440 1.00 POLB (0.69) POLBALDH1A1CASP1HSD17B10FKBP1A
SCHEMBL9275930 0.89 POLB (0.54) POLBALDH1A1FKBP1AMAPTTSHR
SCHEMBL9275925 0.89 POLB (0.54) POLBALDH1A1FKBP1AMAPTTSHR
SCHEMBL9275466 0.88 POLB (0.62) POLBALDH1A1CYP3A4CYP2C9MEN1
SCHEMBL9275456 0.88 POLB (0.62) POLBALDH1A1CYP3A4CYP2C9MEN1
SCHEMBL9280380 0.85 ALPG (0.54) POLBALDH1A1HSD17B10FKBP1AMAPT
SCHEMBL9280373 0.85 ALPG (0.54) POLBALDH1A1HSD17B10FKBP1AMAPT
SCHEMBL9280775 0.83 FKBP1A (0.72) POLBFKBP1A
SCHEMBL9280780 0.83 FKBP1A (0.72) POLBFKBP1A
SCHEMBL3567330 0.81 KMT2A (0.72) POLBALDH1A1MAPTTSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193762-B2 Selective inhibitors of prolylcarboxypeptidase UNIVERSITY OF MISSISSIPPI (US) 2015-11-24 US disclosed
US-20130310311-A1 NOVEL SELECTIVE INHIBITORS OF PROLYLCARBOXYPEPTIDASE THE UNIVERSITY OF MISSISSIPPI 2013-11-21 US disclosed
WO-2012075287-A2 NOVEL SELECTIVE INHIBITORS OF PROLYLCARBOXYPEPTIDASE THE UNIVERSITY OF MISSISSIPPI (US) 2012-06-07 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-20130310311-A1 NOVEL SELECTIVE INHIBITORS OF PROLYLCARBOXYPEPTIDASE PREP, PEPD, DPEP1 POLB 2633/4885ALDH1A1 859/4885CASP1 1043/4885

“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.