SCHEMBL336395

SCHEMBL336395

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.46
CTSB P07858 3/20 0.46
CTSL P07711 3/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PIN1 Q13526 1/20 0.42
ALDH1A1 P00352 4/20 0.41
CTSK P43235 3/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
PPID Q08752 1/20 0.39
ALOX5 P09917 1/20 0.38
TLR2 O60603 1/20 0.38
MAPT P10636 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
SCHEMBL799597 0.91 CTSS (0.47) CTSSCTSBCTSLNPC1RAB9A
SCHEMBL6304830 0.87 CTSL (0.48) CTSSCTSBCTSLPIN1ALDH1A1
SCHEMBL2913795 0.81 CTSS (0.55) CTSSCTSBCTSLNPC1RAB9A
SCHEMBL19784031 0.80 CTSS (0.52) CTSSCTSBCTSLNPC1RAB9A
SCHEMBL10332172 0.79 CTSS (0.59) CTSSCTSBCTSLNPC1RAB9A
SCHEMBL26077298 0.79 PIN1 (0.48) PIN1ALDH1A1TP53SMN1; SMN2PPID
SCHEMBL9056559 0.78 PIN1 (0.47) NPC1PIN1ALDH1A1TP53SMN1; SMN2
SCHEMBL13484404 0.78 PIN1 (0.49) NPC1RAB9APIN1ALDH1A1TP53
SCHEMBL5786397 0.77 CTSS (0.60) CTSSCTSBCTSLNPC1RAB9A
SCHEMBL14690411 0.77 CTSS (0.53) CTSSCTSBCTSLNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112996784-B Indole derivatives and their use in medicine 北京越之康泰生物医药科技有限公司 2023-05-30 CN disclosed
CN-112996784-A Indole derivatives and their use in medicine 北京越之康泰生物医药科技有限公司 2021-06-18 CN disclosed
CN-108863958-B Preparation method of 4, 7-diazaspiro [2.5] octane derivative 南京药石科技股份有限公司 2020-10-27 CN disclosed
CN-106749233-B Sulfonamide derivatives and application thereof 中山大学 2020-04-21 CN disclosed
WO-2020057403-A1 INDOLE DERIVATIVE AND MEDICAL APPLICATION THEREOF 北京越之康泰生物医药科技有限公司 2020-03-26 WO disclosed
EP-2336132-B1 MORPHOLINOPURINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2014-01-01 EP 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-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-2380892-A1 IMIDAZOTHIAZOLE DERIVATIVE HAVING PROLINE RING STRUCTURE Daiichi Sankyo Company, Limited (JP) 2011-10-26 EP 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 (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 3085/4885CTSB 2870/4885CTSL 2446/4885
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.