SCHEMBL4041646

SCHEMBL4041646

NC(Cc1cccc(O)c1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.38
TSHR P16473 1/20 0.38
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37
FKBP1A P62942 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 2/20 0.36
DPP8 Q6V1X1 3/20 0.35
DPP9 Q86TI2 3/20 0.35
DPP7 Q9UHL4 3/20 0.35
FAP Q12884 2/20 0.35
NAMPT P43490 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 1/20 0.35
TACR1 P25103 1/20 0.34

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) DPP4TSHRKDM4E
SCHEMBL4044930 0.89 DPP4 (0.38) DPP4FKBP1ADPP8DPP9DPP7
SCHEMBL4043109 0.87 ALDH1A1 (0.44) DPP4TSHRKDM4EALDH1A1DPP8
SCHEMBL4041279 0.85 DPP4 (0.44) DPP4KDM4EALDH1A1DPP8DPP9
SCHEMBL4042247 0.85 DPP4 (0.41) DPP4DPP8DPP9DPP7FAP
SCHEMBL4039220 0.84 HSD17B10 (0.42) DPP4TSHRKDM4EALDH1A1DPP8
SCHEMBL4047525 0.84 KDM4E (0.41) TSHRKDM4EALDH1A1HSD17B10HPGD
SCHEMBL4039215 0.83 DPP4 (0.39) DPP4DPP8DPP9DPP7FAP
SCHEMBL4038375 0.83 HSD17B10 (0.42) DPP4TSHRKDM4EALDH1A1HSD17B10
SCHEMBL4048643 0.83 DPP4 (0.42) DPP4TSHRKDM4EALDH1A1DPP8

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
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

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 3448/4885TSHR 1023/4885F2 2041/4885

“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.