SCHEMBL8175137

SCHEMBL8175137

CS(=O)(=O)N[C@H](CCc1ccccc1)C(=O)N1C[C@H](OCc2ccc(Cl)cc2)C[C@H]1C(=O)N[C@@H](CCCCN)C(=O)C(=O)NCCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.45
CTSB P07858 6/20 0.45
CTSS P25774 6/20 0.45
CTSK P43235 6/20 0.45
F2 P00734 5/20 0.42
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40
KLK1 P06870 1/20 0.39
MC4R P32245 1/20 0.39
MC3R P41968 1/20 0.39
MC1R Q01726 1/20 0.39
AGTR2 P50052 1/20 0.38
ACE P12821 1/20 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
SCHEMBL8163407 1.00 CTSL (0.45) CTSLCTSBCTSSCTSKF2
SCHEMBL8169709 0.96 CTSL (0.43) CTSLCTSBCTSSCTSKF2
SCHEMBL8169976 0.96 CTSL (0.43) CTSLCTSBCTSSCTSKF2
SCHEMBL8169986 0.96 F2 (0.43) CTSLCTSBCTSSCTSKF2
SCHEMBL8175162 0.96 CTSL (0.44) CTSLCTSBCTSSCTSKF2
SCHEMBL8164681 0.95 CTSL (0.44) CTSLCTSBCTSSCTSKF2
SCHEMBL8170857 0.94 KLK1 (0.41) CTSLCTSBCTSSCTSKF2
SCHEMBL8171330 0.93 AGTR2 (0.40) CTSLCTSBCTSSCTSKMC4R
SCHEMBL8177623 0.93 CTSL (0.43) CTSLCTSBCTSSCTSKF2
SCHEMBL8171380 0.93 CTSL (0.43) CTSLCTSBCTSSCTSKF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293915-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2012-10-23 US disclosed
US-8293915-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2012-10-23 US disclosed
US-20100056756-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2010-03-04 US disclosed
US-20100056756-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2010-03-04 US disclosed
WO-2008097676-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2008-08-14 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-20100056756-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS PRSS1, PRSS8, PRSS2 CTSL 36/4885CTSB 25/4885CTSS 8/4885

“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.