SCHEMBL336396

SCHEMBL336396

CCC(C(=O)O)N(Cc1ccccc1)C(=O)C1(NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.46
CTSB P07858 3/20 0.46
CTSL P07711 3/20 0.46
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TLR2 O60603 2/20 0.41
SYK P43405 1/20 0.40
CTSK P43235 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
FOLH1 Q04609 1/20 0.39
CTRB1 P17538 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KYNU Q16719 1/20 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
SCHEMBL14793666 1.00 CTSS (0.46) CTSSCTSBCTSLLMNAALDH1A1
SCHEMBL14793484 1.00 CTSS (0.46) CTSSCTSBCTSLLMNAALDH1A1
SCHEMBL7918135 0.93 CTSB (0.45) CTSSCTSBCTSLLMNAALDH1A1
SCHEMBL7954342 0.93 CTSB (0.45) CTSSCTSBCTSLLMNAALDH1A1
SCHEMBL1508989 0.83 CTSB (0.47) CTSSCTSBCTSLLMNAALDH1A1
SCHEMBL1508777 0.83 CTSB (0.47) CTSSCTSBCTSLLMNAALDH1A1
SCHEMBL2486455 0.82 CTSS (0.42) CTSSCTSBCTSLLMNAALDH1A1
SCHEMBL2488570 0.82 CTSS (0.42) CTSSCTSBCTSLLMNAALDH1A1
SCHEMBL22661872 0.80 CTSB (0.45) CTSSCTSBCTSLLMNAALDH1A1
SCHEMBL20163748 0.76 MEN1 (0.59) CTSSCTSBCTSLLMNASYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2336132-B1 MORPHOLINOPURINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2014-01-01 EP disclosed
US-8309546-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
US-8097622-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-17 US disclosed
EP-2336132-A1 MORPHOLINOPURINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2011-06-22 EP disclosed
US-20100130492-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-27 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 (2 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-20100130492-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 CTSS 4820/4885CTSB 4621/4885CTSL 4767/4885
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 CTSS 4820/4885CTSB 4621/4885CTSL 4767/4885

“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.