SCHEMBL799597

SCHEMBL799597

COC(=O)CN(Cc1ccccc1)C(=O)C1(NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.47
CTSL P07711 4/20 0.47
CTSB P07858 3/20 0.47
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CTSK P43235 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KYNU Q16719 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LPAR1 Q92633 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 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
SCHEMBL336395 0.91 CTSS (0.46) CTSSCTSLCTSBNPC1RAB9A
SCHEMBL2715828 0.80 CTSS (0.52) CTSSCTSLCTSBNPC1RAB9A
SCHEMBL1508989 0.79 CTSB (0.47) CTSSCTSLCTSBNPC1RAB9A
SCHEMBL1508777 0.79 CTSB (0.47) CTSSCTSLCTSBNPC1RAB9A
SCHEMBL6304830 0.78 CTSL (0.48) CTSSCTSLCTSBSMN1; SMN2ALDH1A1
SCHEMBL1189554 0.78 CTSS (0.57) CTSSCTSLCTSBNPC1RAB9A
SCHEMBL7918135 0.77 CTSB (0.45) CTSSCTSLCTSBNPC1RAB9A
SCHEMBL7954342 0.77 CTSB (0.45) CTSSCTSLCTSBNPC1RAB9A
SCHEMBL13383514 0.77 NPSR1 (0.45) CTSSNPC1RAB9ACTSKNPSR1
Hydrochloric Acid SCHEMBL29158039 0.76 CTSS (0.56) CTSSCTSLCTSBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130172362-A1 Imidazothiazole Derivatives Having Proline Ring Structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-04 US disclosed
US-20130172362-A1 Imidazothiazole Derivatives Having Proline Ring Structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-04 US disclosed
US-8404691-B2 Imidazothiazole derivatives having proline ring structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-03-26 US disclosed
US-8404691-B2 Imidazothiazole derivatives having proline ring structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-03-26 US disclosed
US-8309546-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-13 US 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-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
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
WO-2010082612-A1 IMIDAZOTHIAZOLE DERIVATIVE HAVING PROLINE RING STRUCTURE 第一三共株式会社 (JP) 2010-07-22 WO disclosed
US-20100130492-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-27 US disclosed
US-20100130492-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-27 US disclosed
WO-2010044401-A1 MORPHOLINOPURINE DERIVATIVE 第一三共株式会社 (JP) 2010-04-22 WO disclosed
WO-2009151069-A1 IMIDAZOTHIAZOLE DERIVATIVE HAVING 4,7-DIAZASPIRO[2.5]OCTANE RING STRUCTURE 第一三共株式会社 (JP) 2009-12-17 WO 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-20130172362-A1 Imidazothiazole Derivatives Having Proline Ring Structure MDM2, TP53, TP53BP1 CTSS 3085/4885CTSL 2446/4885CTSB 2870/4885
US-20100130492-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 CTSS 4820/4885CTSL 4767/4885CTSB 4621/4885
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 CTSS 4820/4885CTSL 4767/4885CTSB 4621/4885

“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.