SCHEMBL12637862

SCHEMBL12637862

CNCCNC(=O)[C@H](CCCNC(=N)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2)NC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.35
CA2 P00918 3/20 0.33
CA1 P00915 2/20 0.33
CTSS P25774 2/20 0.33
CTSK P43235 2/20 0.33
PLG P00747 3/20 0.32
PLAU P00749 2/20 0.32
F2 P00734 1/20 0.32
ST14 Q9Y5Y6 1/20 0.32
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
F10 P00742 1/20 0.31
KLKB1 P03952 1/20 0.31
CXCR3 P49682 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
KLK7 P49862 1/20 0.30
KLK5 Q9Y337 1/20 0.30

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
SCHEMBL12637899 0.94 CA1 (0.33) CAPN1CA2CA1PLGPLAU
SCHEMBL30544245 0.93 CAPN1 (0.35) CAPN1CA2CA1CTSSCTSK
SCHEMBL15133611 0.93 MMP1 (0.34) CAPN1CA2CA1CTSSCTSK
SCHEMBL30643158 0.91 CTSS (0.35) CAPN1CA2CA1CTSSCTSK
SCHEMBL30643156 0.91 CTSS (0.35) CAPN1CA2CA1CTSSCTSK
SCHEMBL31058628 0.90 ALDH1A1 (0.37) CAPN1CA2CA1CTSSCTSK
SCHEMBL15407157 0.90 ALDH1A1 (0.39) CAPN1CTSSCTSKPLGPLAU
SCHEMBL20561238 0.90 ALDH1A1 (0.39) CAPN1CTSSCTSKPLGPLAU
SCHEMBL29401007 0.90 ALDH1A1 (0.39) CAPN1CTSSCTSKPLGPLAU
SCHEMBL17154024 0.90 PLG (0.34) CAPN1CA2CA1PLGPLAU

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
US-20110105381-A2 Prodrugs of Peripheral Phenolic Opioid Antagonists PHARMACOFORE, INC. (US) 2011-05-05 US disclosed
US-20110105381-A2 Prodrugs of Peripheral Phenolic Opioid Antagonists PHARMACOFORE, INC. (US) 2011-05-05 US disclosed
US-20100267614-A1 Prodrugs of Peripheral Phenolic Opioid Antagonists PHARMACOFORE, INC. 2010-10-21 US disclosed
US-20100267614-A1 Prodrugs of Peripheral Phenolic Opioid Antagonists PHARMACOFORE, INC. 2010-10-21 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 (2 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-20110105381-A2 Prodrugs of Peripheral Phenolic Opioid Antagonists OPRM1, OPRL1, OPRK1 CAPN1 1484/4885CA2 4102/4885CA1 4097/4885
US-20100267614-A1 Prodrugs of Peripheral Phenolic Opioid Antagonists OPRM1, OPRK1, OPRL1 CAPN1 1620/4885CA2 4091/4885CA1 4108/4885

“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.