SCHEMBL4041279

SCHEMBL4041279

COc1ccc(CC(N)C(=O)N2CCC3C2C(=O)CN3S(=O)(=O)c2cccnc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.44
FAP Q12884 2/20 0.44
DPP8 Q6V1X1 2/20 0.44
DPP9 Q86TI2 2/20 0.44
DPP7 Q9UHL4 2/20 0.44
LMNA P02545 2/20 0.43
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
KCNQ1 P51787 1/20 0.42
CASP3 P42574 4/20 0.40
CASP7 P55210 4/20 0.40
CASP6 P55212 3/20 0.40
MMP1 P03956 3/20 0.40
MMP3 P08254 3/20 0.40
MMP7 P09237 3/20 0.40
MMP9 P14780 3/20 0.40
MMP13 P45452 3/20 0.40
CASP1 P29466 1/20 0.39
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL4039119 0.91 DPP4 (0.48) DPP4KDM4E
SCHEMBL4043109 0.90 ALDH1A1 (0.44) DPP4FAPDPP8DPP9DPP7
SCHEMBL4044857 0.89 DPP4 (0.43) DPP4FAPDPP8DPP9DPP7
SCHEMBL4039220 0.85 HSD17B10 (0.42) DPP4DPP8DPP9DPP7LMNA
SCHEMBL4041646 0.85 DPP4 (0.38) DPP4FAPDPP8DPP9DPP7
SCHEMBL4043699 0.85 DPP4 (0.45) DPP4FAPDPP8DPP9DPP7
SCHEMBL4038375 0.85 HSD17B10 (0.42) DPP4LMNAKDM4EALDH1A1HPGD
SCHEMBL4037679 0.84 CTSK (0.49) LMNACHRNB4CHRNA3KCNQ1
SCHEMBL4045013 0.84 DPP4 (0.41) DPP4LMNAPOLBKMT2AKDM4E
SCHEMBL4047525 0.84 KDM4E (0.41) POLBKDM4EALDH1A1HPGDHSD17B10

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 6 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-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 3448/4885FAP 3455/4885DPP8 947/4885

“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.