SCHEMBL1982922

SCHEMBL1982922

COc1ccc(-c2ccc3[nH]c(C4CCN(C(=O)[C@H](Cc5cccs5)NC(=O)OC(C)(C)C)CC4)nc3c2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.46
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
TLR8 Q9NR97 2/20 0.39
TLR7 Q9NYK1 2/20 0.39
AAK1 Q2M2I8 1/20 0.39
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
TLR9 Q9NR96 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PIK3CD O00329 2/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL1982924 1.00 HTR2B (0.46) HTR2BCTSSCTSKLMNATP53
SCHEMBL1980557 0.88 CTSS (0.41) CTSSCTSKLMNATLR8TLR7
SCHEMBL1980560 0.88 CTSS (0.41) CTSSCTSKLMNATLR8TLR7
SCHEMBL1980816 0.87 CTSK (0.43) CTSSCTSKLMNATP53MAPT
SCHEMBL1980818 0.87 CTSK (0.43) CTSSCTSKLMNATP53MAPT
SCHEMBL1983514 0.86 HTR2B (0.50) HTR2BLMNATP53MAPTHTT
SCHEMBL1983513 0.86 HTR2B (0.50) HTR2BLMNATP53MAPTHTT
SCHEMBL6895296 0.81 HTR2B (0.49) HTR2BLMNATP53MAPTHTT
SCHEMBL1981410 0.76 PAX8 (0.41) HTR2BLMNATP53MAPTHTT
SCHEMBL27878469 0.73 TLR7 (0.37) LMNATLR8TLR7HSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513054-B1 BICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 JANSSEN PHARMACEUTICA NV (BE) 2016-03-09 EP disclosed
US-8552032-B2 Bicyclic derivatives useful as inhibitors of DPP-1 JANSSEN PHARMACEUTICA NV (BE) 2013-10-08 US disclosed
US-20110152321-A1 BICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 JANSSEN PHARMACEUTICA (BE) 2011-06-23 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-20110152321-A1 BICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 DPP4, DPP7, DPP3 HTR2B 1900/4885CTSS 966/4885CTSK 1284/4885

“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.