SCHEMBL13009387

SCHEMBL13009387

CCOP(=O)(OCC)C(C(=O)Nc1cc(NC(=O)C2CCN(C(=O)c3ccc4ccccc4c3)CC2)c2ccccc2c1)c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.48
CTSG P08311 4/20 0.46
CMA1 P23946 3/20 0.46
KMT2A Q03164 3/20 0.41
CAPN1 P07384 1/20 0.41
CTSB P07858 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MASP2 O00187 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL8291221 0.93 MGLL (0.49) MGLLCTSGCMA1KMT2ACAPN1
SCHEMBL13009097 0.89 MGLL (0.50) MGLLCTSGCMA1KMT2ANPC1
SCHEMBL409062 0.89 CMA1 (0.57) MGLLCTSGCMA1CAPN1CTSB
SCHEMBL14000867 0.86 CTSG (0.49) MGLLCTSGCMA1KMT2ACAPN1
SCHEMBL8290988 0.85 MGLL (0.47) MGLLCTSGCMA1KMT2ACAPN1
SCHEMBL8291231 0.80 PTPN2 (0.42) CMA1KMT2ANPC1RAB9AKDM4E
SCHEMBL410155 0.80 CMA1 (0.57) MGLLCTSGCMA1KMT2ACAPN1
SCHEMBL13996273 0.79 CTSG (0.52) MGLLCTSGCMA1CAPN1CTSB
SCHEMBL15290587 0.77 MGLL (0.54) MGLLKMT2ACAPN1CTSBNPC1
SCHEMBL27668978 0.77 MGLL (0.67) MGLLKMT2ACAPN1CTSBNPC1

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
EP-1716160-B1 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-29 EP disclosed
US-20090036409-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2009-02-05 US disclosed
US-20090036409-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2009-02-05 US disclosed
US-7459444-B2 Inhibitors of chymase JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-02 US disclosed
US-7459444-B2 Inhibitors of chymase JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-02 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-20090036409-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 MGLL 1024/4885CTSG 36/4885CMA1 1/4885

“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.