SCHEMBL13932829

SCHEMBL13932829

CC(C)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.64
ATM Q13315 1/20 0.60
CTSS P25774 3/20 0.57
CTSK P43235 2/20 0.57
CTSL P07711 1/20 0.57
CTSB P07858 1/20 0.57
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA7 P43166 1/20 0.56
ACE P12821 1/20 0.55
APP P05067 2/20 0.53
PSEN1 P49768 3/20 0.53
PSEN2 P49810 3/20 0.53
APH1B Q8WW43 3/20 0.53
NCSTN Q92542 3/20 0.53
APH1A Q96BI3 3/20 0.53
PSENEN Q9NZ42 3/20 0.53

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
SCHEMBL13748497 1.00 KLK5 (0.64) KLK5ATMCTSSCTSKCTSL
SCHEMBL8283132 1.00 KLK5 (0.64) KLK5ATMCTSSCTSKCTSL
SCHEMBL27486450 0.90 KLK5 (0.63) KLK5ATMCTSSCTSKCTSL
SCHEMBL27796636 0.90 KLK5 (0.63) KLK5ATMCTSSCTSKCTSL
SCHEMBL8486327 0.90 KLK5 (0.63) KLK5ATMCTSSCTSKCTSL
SCHEMBL27502332 0.90 KLK5 (0.63) KLK5ATMCTSSCTSKCTSL
SCHEMBL6896461 0.89 ATM (0.61) KLK5ATMCTSSCTSKCTSL
SCHEMBL9848360 0.88 KLK5 (0.63) KLK5ATMCTSSCTSKCTSL
SCHEMBL8534875 0.88 KLK5 (0.63) KLK5ATMCTSSCTSKCTSL
SCHEMBL6444857 0.88 KLK5 (0.63) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662164-B2 Non-beta lactam antibiotics UNIVERSITY OF NOTRE DAME DU LAC (US) 2020-05-26 US disclosed
US-20190127340-A1 NON-BETA LACTAM ANTIBIOTICS UNIVERSITY OF NOTRE DAME DU LAC 2019-05-02 US disclosed
US-20090048227-A1 Substituted-1-Phthalazinamines As Vr- 1 Antagonists MERCK SHARP & DOHME CORP. 2009-02-19 US disclosed
US-20090048227-A1 Substituted-1-Phthalazinamines As Vr- 1 Antagonists MERCK SHARP & DOHME CORP. 2009-02-19 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 (3 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-20090048227-A1 Substituted-1-Phthalazinamines As Vr- 1 Antagonists TRPV1, TRPV2, TRPV5 KLK5 1102/4885ATM 4685/4885CTSS 2542/4885
US-10662164-B2 Non-beta lactam antibiotics OXA1L, O60361, CUTA KLK5 3015/4885ATM 3606/4885CTSS 3480/4885
US-20190127340-A1 NON-BETA LACTAM ANTIBIOTICS OXA1L, O60361, CUTA KLK5 3015/4885ATM 3606/4885CTSS 3480/4885

“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.