SCHEMBL4679772

SCHEMBL4679772

NN1CCC(NC(=O)OCc2ccccc2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
CTSK P43235 1/20 0.51
NAAA Q02083 1/20 0.50
CASP3 P42574 1/20 0.50
PREP P48147 2/20 0.49
DPP4 P27487 1/20 0.49
KCNH2 Q12809 1/20 0.49
DPP7 Q9UHL4 1/20 0.49
CASP1 P29466 1/20 0.48
CPB1 P15086 1/20 0.48
EPHX1 P07099 1/20 0.47

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
SCHEMBL4679774 1.00 TSHR (0.53) TSHRALDH1A1GAACTSLCTSB
SCHEMBL4683464 1.00 TSHR (0.53) TSHRALDH1A1GAACTSLCTSB
SCHEMBL253913 0.86 ALDH1A1 (0.53) TSHRALDH1A1GAACTSLCTSB
SCHEMBL14601914 0.85 CTSK (0.54) TSHRALDH1A1GAACTSLCTSB
SCHEMBL13043801 0.85 CTSK (0.54) TSHRALDH1A1GAACTSLCTSB
SCHEMBL13244921 0.84 ALDH1A1 (0.51) TSHRALDH1A1GAACTSLCTSB
SCHEMBL18712231 0.84 ALDH1A1 (0.51) TSHRALDH1A1GAACTSLCTSB
SCHEMBL4076570 0.83 CASP3 (0.49) TSHRALDH1A1GAACTSLCTSB
SCHEMBL4079420 0.83 CASP3 (0.49) TSHRALDH1A1GAACTSLCTSB
SCHEMBL4076562 0.83 CASP3 (0.49) TSHRALDH1A1GAACTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1975153-A2 Protease inhibitors Prozymex A/S (DK) 2008-10-01 EP disclosed
EP-1975153-A2 Protease inhibitors Prozymex A/S (DK) 2008-10-01 EP disclosed
EP-1633702-B1 PROTEASE INHIBITORS PROZYMEX AS (DK) 2008-07-02 EP disclosed
EP-1633702-B1 PROTEASE INHIBITORS PROZYMEX AS (DK) 2008-07-02 EP disclosed
US-20070155803-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-07-05 US disclosed
US-20070155803-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-07-05 US disclosed
US-20070155803-A1 Protease inhibitors PROZYMEX A/S (DK) 2007-07-05 US disclosed
EP-1633702-A1 PROTEASE INHIBITORS Prozymex A/S (DK) 2006-03-15 EP disclosed
WO-2004106289-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-09 WO disclosed
WO-2004106289-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-09 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-20070155803-A1 Protease inhibitors DPP7, DPP9, DPP3 TSHR 2862/4885ALDH1A1 2713/4885GAA 36/4885

“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.