SCHEMBL13337029

SCHEMBL13337029

CC(C)NC(CC1CCCCC1)C(=O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.44
CTSL P07711 6/20 0.41
CTSB P07858 6/20 0.41
CTSH P09668 3/20 0.41
LTA4H P09960 1/20 0.41
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
CTSS P25774 2/20 0.38
CPB2 Q96IY4 2/20 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
SCHEMBL16171793 1.00 CTSK (0.44) CTSKCTSLCTSBCTSHLTA4H
SCHEMBL19361697 0.98 CTSK (0.42) CTSKCTSLCTSBCTSHLTA4H
SCHEMBL16171788 0.93 CTSK (0.36) CTSKCTSLCTSBCTSHLTA4H
SCHEMBL19361731 0.93 CTSK (0.36) CTSKCTSLCTSBCTSHLTA4H
SCHEMBL23844710 0.86 CTSK (0.44) CTSKCTSLCTSBCTSHLTA4H
SCHEMBL14537024 0.86 CTSK (0.44) CTSKCTSLCTSBCTSHLTA4H
SCHEMBL16327608 0.84 CTSK (0.45) CTSKCTSLCTSBCTSHLTA4H
SCHEMBL22133208 0.84 CTSK (0.45) CTSKCTSLCTSBCTSHLTA4H
SCHEMBL13957700 0.84 GRN (0.49) CTSKCTSLCTSBCTSHLTA4H
SCHEMBL13707910 0.82 CTSK (0.44) CTSKCTSLCTSBCTSHCPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4309741-A1 CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-01-24 EP disclosed
US-20100130581-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN THE UNIVERSITY OF QUEENSLAND 2010-05-27 US disclosed
US-7217794-B2 Compounds and methods for treatment of thrombosis DAIAMED, INC. (US) 2007-05-15 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-20100130581-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN OPRL1, CRH, OPRK1 CTSK 471/4885CTSL 466/4885CTSB 463/4885

“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.