SCHEMBL2913795

SCHEMBL2913795

CCOC(=O)C1(NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.55
CTSL P07711 4/20 0.55
CTSB P07858 3/20 0.55
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.49
CTSK P43235 4/20 0.47
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
MAPT P10636 1/20 0.45
APEX1 P27695 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TLR2 O60603 2/20 0.44
OPRM1 P35372 1/20 0.44

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
SCHEMBL10332172 0.95 CTSS (0.59) CTSSCTSLCTSBNPC1RAB9A
SCHEMBL22041768 0.91 CTSS (0.50) CTSSCTSLCTSBNPC1RAB9A
SCHEMBL22041903 0.91 CTSS (0.47) CTSSCTSLCTSBNPC1RAB9A
SCHEMBL1974652 0.90 CTSB (0.51) CTSSCTSLCTSBNPC1RAB9A
SCHEMBL1189554 0.89 CTSS (0.57) CTSSCTSLCTSBNPC1RAB9A
SCHEMBL25249007 0.87 ALDH1A1 (0.51) CTSSCTSLCTSBNPC1RAB9A
Hydrochloric Acid SCHEMBL29158039 0.87 CTSS (0.56) CTSSCTSLCTSBNPC1RAB9A
SCHEMBL3147192 0.87 CTSS (0.48) CTSSCTSLCTSBNPC1RAB9A
SCHEMBL3931521 0.87 CTSS (0.47) CTSSCTSLCTSBNPC1RAB9A
SCHEMBL14690411 0.86 CTSS (0.53) 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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118146123-A Synthesis method of An Luoti nii hydrochloride intermediate 河北鼎泰制药有限公司 2024-06-07 CN disclosed
US-9783498-B2 Process for preparing the anti-tumor agent 6-(7-((1-aminocyclopropyl)methoxy)-6-methoxyquinolin-4-yloxy)-N-methyl-1-naphthamide and its crystalline Advenchen Pharmaceuticals, LLC (US) 2017-10-10 US disclosed
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
EP-2763998-B1 TRI-HETEROCYCLIC DERIVATIVES, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2016-04-27 EP disclosed
US-9216997-B2 Tri-heterocyclic derivatives, preparation process and uses thereof SHANGHAI DE NOVO PHARMATECH CO LTD. (CN) 2015-12-22 US disclosed
US-9216997-B2 Tri-heterocyclic derivatives, preparation process and uses thereof SHANGHAI DE NOVO PHARMATECH CO LTD. (CN) 2015-12-22 US disclosed
US-20140329800-A1 TRI-HETEROCYCLIC DERIVATIVES, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD. (CN) 2014-11-06 US disclosed
US-20140329800-A1 TRI-HETEROCYCLIC DERIVATIVES, PREPARATION PROCESS AND USES THEREOF SHANGHAI DE NOVO PHARMATECH CO LTD. (CN) 2014-11-06 US disclosed
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
US-7157448-B2 Acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2007-01-02 US disclosed
US-7157448-B2 Acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2007-01-02 US disclosed
US-7157448-B2 Acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2007-01-02 US disclosed
US-20060293284-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same CHO DONG-GYU 2006-12-28 US disclosed
EP-1715873-A1 NUCLEOSIDE PHOSPHONATE DERIVATIVES USEFUL IN THE TREATMENT OF HIV INFECTIONS LG Life Sciences Ltd. (KR) 2006-11-02 EP disclosed
US-20060052346-A1 Nucleoside phosphonate derivatives useful in the treatment of HIV infections LG LIFE SCIENCES LTD. (KR) 2006-03-09 US disclosed
WO-2005079812-A1 NUCLEOSIDE PHOSPHONATE DERIVATIVES USEFUL IN THE TREATMENT OF HIV INFECTIONS LG LIFE SCIENCES LTD. (KR) 2005-09-01 WO disclosed
US-20040063668-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same LG LIFE SCIENCES LTD. (KR) 2004-04-01 US disclosed
EP-1358198-A1 NOVEL ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVES, SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME LG Chem Investment, Ltd. (KR) 2003-11-05 EP disclosed
WO-2002057288-A1 NOVEL ACYCLIC NUCLEOSIDE PHOSPHONATE DERIVATIVES, SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME LG LIFE SCIENCES LTD. (KR) 2002-07-25 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 (4 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-20060052346-A1 Nucleoside phosphonate derivatives useful in the treatment of HIV infections PNP, TYMP, ENTPD5 CTSS 3026/4885CTSL 1621/4885CTSB 2753/4885
US-20060293284-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP CTSS 3009/4885CTSL 2173/4885CTSB 1940/4885
US-20040063668-A1 Novel acyclic nucleoside phosphonate derivatives, salts thereof and process for the preparation of the same PNP, ITPA, MTAP CTSS 3009/4885CTSL 2173/4885CTSB 1940/4885
US-20140329800-A1 TRI-HETEROCYCLIC DERIVATIVES, PREPARATION PROCESS AND USES THEREOF MAP3K15, MAP3K1, MAP3K5 CTSS 2481/4885CTSL 3205/4885CTSB 2935/4885

“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.