SCHEMBL1980557

SCHEMBL1980557

COc1ccc(-c2ccc3[nH]c(C4CCN(C(=O)[C@H](Cc5cccs5)NC(=O)OC(C)(C)C)CC4)cc3c2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
TLR7 Q9NYK1 3/20 0.39
TLR8 Q9NR97 2/20 0.39
KMT2A Q03164 3/20 0.39
CYP51A1 Q16850 1/20 0.38
NEK1 Q96PY6 1/20 0.37
TLR9 Q9NR96 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ABCB1 P08183 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 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
SCHEMBL1980560 1.00 CTSS (0.41) CTSSCTSKTLR7TLR8KMT2A
SCHEMBL1982922 0.88 HTR2B (0.46) CTSSCTSKTLR7TLR8KMT2A
SCHEMBL1982924 0.88 HTR2B (0.46) CTSSCTSKTLR7TLR8KMT2A
SCHEMBL1981327 0.85 DPP4 (0.42) TLR7TLR8KMT2ATLR9SMN1; SMN2
SCHEMBL1981326 0.85 DPP4 (0.42) TLR7TLR8KMT2ATLR9SMN1; SMN2
SCHEMBL27878469 0.85 TLR7 (0.37) TLR7TLR8KMT2ACYP51A1TLR9
SCHEMBL27878467 0.83 TLR7 (0.37) TLR7TLR8TLR9SMN1; SMN2ALDH1A1
SCHEMBL1980796 0.78 TLR7 (0.53) TLR7TLR8KMT2AABCB1MEN1
SCHEMBL1980818 0.76 CTSK (0.43) CTSSCTSKKMT2ASMN1; SMN2MAPK1
SCHEMBL1980816 0.76 CTSK (0.43) CTSSCTSKKMT2ASMN1; SMN2MAPK1

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 CTSS 966/4885CTSK 1284/4885TLR7 4146/4885

“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.