SCHEMBL4254558

SCHEMBL4254558

CN(Cc1ccccc1)C(=O)NNC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.57
CTSB P07858 2/20 0.57
CTSS P25774 2/20 0.57
AKT1 P31749 3/20 0.54
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
ABCC1 P33527 1/20 0.51
MTOR P42345 2/20 0.49
RIPK1 Q13546 1/20 0.49
CA12 O43570 2/20 0.47
CA9 Q16790 1/20 0.47
CA1 P00915 1/20 0.47
CA7 P43166 1/20 0.47
CA14 Q9ULX7 1/20 0.47
SYK P43405 1/20 0.46

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
SCHEMBL23978843 0.83 CTSL (0.55) CTSLCTSBCTSSAKT1NPC1
SCHEMBL19742566 0.80 CTSL (0.57) CTSLCTSBCTSSAKT1NPC1
SCHEMBL29019161 0.80 PPARA (0.53) CTSLCTSBCTSSAKT1
SCHEMBL29019158 0.80 PPARA (0.53) CTSLCTSBCTSSAKT1
SCHEMBL1007764 0.80 KMT2A (0.62) CTSLCTSBCTSSAKT1NPC1
SCHEMBL1007763 0.80 KMT2A (0.62) CTSLCTSBCTSSAKT1NPC1
SCHEMBL7797088 0.79 AKT1 (0.63) CTSLCTSBCTSSAKT1NPC1
SCHEMBL24803336 0.79 SYK (0.52) CTSLCTSBCTSSSYK
SCHEMBL23978700 0.79 SYK (0.52) CTSLCTSBCTSSSYK
SCHEMBL7190668 0.79 RIPK1 (0.57) CTSLCTSBCTSSAKT1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215783-A1 COMPOSITION FOR INDUCTION OR INHIBITION OF STEM CELL DIFFERENTIATION CHOONGWAE PHARMA CORPORATION (KR) 2009-08-27 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-20090215783-A1 COMPOSITION FOR INDUCTION OR INHIBITION OF STEM CELL DIFFERENTIATION MYLK2, TNNC1, MYH2 CTSL 2885/4885CTSB 237/4885CTSS 1308/4885

“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.