SCHEMBL4076570

SCHEMBL4076570

NP(N)(=O)N1CCC(NC(=O)OCc2ccccc2)C1=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.49
TSHR P16473 1/20 0.49
DPP4 P27487 3/20 0.48
KCNH2 Q12809 3/20 0.48
DPP7 Q9UHL4 3/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
CTSK P43235 2/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
NAAA Q02083 1/20 0.46
PREP P48147 2/20 0.46
CASP1 P29466 1/20 0.46
CPB1 P15086 1/20 0.45

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
SCHEMBL4076562 1.00 CASP3 (0.49) CASP3TSHRDPP4KCNH2DPP7
SCHEMBL4079420 1.00 CASP3 (0.49) CASP3TSHRDPP4KCNH2DPP7
SCHEMBL4077350 0.93 CASP3 (0.52) CASP3TSHRDPP4KCNH2DPP7
SCHEMBL4077352 0.93 CASP3 (0.52) CASP3TSHRDPP4KCNH2DPP7
SCHEMBL4078596 0.93 CASP3 (0.52) CASP3TSHRDPP4KCNH2DPP7
SCHEMBL4086471 0.92 CASP3 (0.56) CASP3TSHRDPP4KCNH2DPP7
SCHEMBL4082421 0.92 CASP3 (0.56) CASP3TSHRDPP4KCNH2DPP7
SCHEMBL4086459 0.88 NAAA (0.48) TSHRDPP4KCNH2DPP7ALDH1A1
SCHEMBL4085107 0.88 NAAA (0.48) TSHRDPP4KCNH2DPP7ALDH1A1
SCHEMBL4085115 0.88 NAAA (0.48) TSHRDPP4KCNH2DPP7ALDH1A1

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-7531657-B2 Method for preparing sulphostin and analogue thereof or preparation intermediate thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-05-12 US disclosed
US-20050020834-A1 Method for preparation of sulphostin and its analogue or intermediates thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2005-01-27 US disclosed
EP-1457494-A1 PROCESSES FOR PREPARATION OF SULPHOSTIN AND ITS ANALOGUES OR INTERMEDIATES THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2004-09-15 EP disclosed
US-6579989-B1 Dipeptidylpeptidase IV inhibitors; hormone and immune modu-laters; anti-HIV and antiallergenic agents ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 2003-06-17 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-20050020834-A1 Method for preparation of sulphostin and its analogue or intermediates thereof SOST, PTMS, FGF23 CASP3 535/4885TSHR 825/4885DPP4 987/4885

“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.