SCHEMBL4040449

SCHEMBL4040449

NC(Cc1cccs1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)Cc1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.43
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
PKM P14618 1/20 0.36
ADAM17 P78536 3/20 0.36
DPP7 Q9UHL4 1/20 0.34
KDM4E B2RXH2 3/20 0.34
TSHR P16473 1/20 0.34
F2 P00734 2/20 0.34
ALDH1A1 P00352 3/20 0.33
CTSC P53634 2/20 0.33
CASP1 P29466 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CASP7 P55210 1/20 0.32
PARP1 P09874 1/20 0.31

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
SCHEMBL4044084 0.88 DPP4 (0.43) DPP4DPP8DPP9ADAM17KDM4E
SCHEMBL4042026 0.85 DPP4 (0.46) DPP4
SCHEMBL4044728 0.85 DPP4 (0.40) DPP4DPP8DPP9DPP7PARP1
SCHEMBL4042325 0.85 DPP4 (0.40) DPP4KDM4ETSHRF2ALDH1A1
SCHEMBL4044306 0.85 DPP4 (0.39) DPP4DPP8DPP9MAPTDPP7
SCHEMBL4044945 0.85 DPP4 (0.41) DPP4DPP8DPP9DPP7
SCHEMBL4046221 0.84 DPP4 (0.40) DPP4DPP8DPP9LMNADPP7
SCHEMBL4042163 0.83 DPP4 (0.40) DPP4DPP8LMNAPKMDPP7
SCHEMBL4042815 0.83 DPP4 (0.40) DPP4DPP8DPP9DPP7F2
SCHEMBL4038911 0.83 DPP4 (0.43) DPP4DPP8DPP9DPP7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 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-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS DPP4 3448/4885DPP8 947/4885DPP9 1045/4885

“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.