SCHEMBL3500399

SCHEMBL3500399

COC(=O)C(Cc1ccc(NCc2ccccc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.61
ATM Q13315 3/20 0.56
CTSS P25774 3/20 0.56
CTSK P43235 3/20 0.56
CTSL P07711 1/20 0.56
CTSB P07858 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
ACE P12821 1/20 0.54
HDAC8 Q9BY41 1/20 0.52
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
EPHX2 P34913 1/20 0.49
AKT1 P31749 1/20 0.49
PPARA Q07869 2/20 0.49
PPARG P37231 1/20 0.49

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
SCHEMBL3500404 1.00 KLK5 (0.61) KLK5ATMCTSSCTSKCTSL
SCHEMBL24725329 0.91 ACE (0.65) ATMCTSSCTSKCTSLCTSB
SCHEMBL3501896 0.91 ACE (0.65) ATMCTSSCTSKCTSLCTSB
SCHEMBL3501894 0.91 ACE (0.65) ATMCTSSCTSKCTSLCTSB
SCHEMBL84524 0.89 KLK5 (0.72) KLK5ATMCTSSCTSKCTSL
SCHEMBL6292728 0.89 KLK5 (0.72) KLK5ATMCTSSCTSKCTSL
SCHEMBL1196457 0.89 KLK5 (0.72) KLK5ATMCTSSCTSKCTSL
SCHEMBL21473748 0.89 KLK5 (0.72) KLK5ATMCTSSCTSKCTSL
SCHEMBL7896684 0.87 KLK5 (0.67) KLK5ATMCTSSCTSKCTSL
SCHEMBL12994244 0.86 PTPN1 (0.52) KLK5ATMCTSSCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 EP 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 KLK5 4167/4885ATM 3445/4885CTSS 3589/4885

“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.