SCHEMBL1285658

SCHEMBL1285658

O=C(O)CN1C(=O)OCC1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLS O94925 4/20 0.51
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HDAC1 Q13547 2/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
AVPR1A P37288 1/20 0.41
IDH1 O75874 2/20 0.41
SCD5 Q86SK9 1/20 0.40

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
SCHEMBL42224 1.00 GLS (0.51) GLSNPC1LMNATP53HPGD
SCHEMBL43071 1.00 GLS (0.51) GLSNPC1LMNATP53HPGD
SCHEMBL15743848 0.88 GLS (0.49) GLSNPC1LMNATP53HPGD
SCHEMBL9036084 0.88 GLS (0.49) GLSNPC1LMNATP53HPGD
SCHEMBL42111 0.88 GLS (0.49) GLSNPC1LMNATP53HPGD
SCHEMBL15743835 0.88 GLS (0.49) GLSNPC1LMNATP53HPGD
SCHEMBL42681 0.88 GLS (0.49) GLSNPC1LMNATP53HPGD
SCHEMBL9036013 0.86 TSHR (0.43) GLSNPC1LMNATP53HPGD
SCHEMBL9035836 0.86 HTT (0.43) GLSLMNASMN1; SMN2ALDH1A1HTT
SCHEMBL14665118 0.85 GLS (0.49) GLSNPC1LMNATP53HPGD

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117417272-A Preparation method of Boc-D-isoleucine 上海海皋科技有限公司 2024-01-19 CN claimed
US-10072043-B2 Inhibitors of protein tyrosine phosphatases INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-09-11 US claimed
US-20160176922-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES Indiana University Research and Technology Corpora tion (US) 2016-06-23 US claimed
US-9217012-B2 Inhibitors of protein tyrosine phosphatases INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-12-22 US claimed
US-20120088720-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATI (US) 2012-04-12 US claimed
WO-2010118241-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2010-10-14 WO claimed
US-7576175-B2 Amino acid terminated diphenylurea derivatives; display high binding affinity, specificity, and stability; use in treating cancer, inflammatory diseases, and autoimmune diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-08-18 US claimed
US-20080171698-A1 Anti-hypertensive molecules and process for preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH. 2008-07-17 US claimed
US-7109377-B2 Synthesis of combinatorial libraries of compounds reminiscent of natural products PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-09-19 US claimed
US-20050032709-A1 Anti-hypertensive molecules and process for preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2005-02-10 US claimed
WO-2004087743-A2 ANTI-HYPERTENSIVE PEPTIDE DERIVATIVES AND PROCESS FOR PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-10-14 WO claimed
US-20030082830-A1 Synthesis of combinatorial libraries of compounds reminiscent of natural products NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-05-01 US claimed
US-6448443-B1 GENERATED FROM DIVERSIFIABLE SCAFFOLDS SYNTHESIZED FROM THE PYRIDINE-BASED TEMPLATE ISONICOTINAMIDE; ALSO PROVIDES A NOVEL ORTHO-NITROBENZYL PHOTOLINKER; SYNTHESIZED FROM A SHIKIMIC ACID BASED EPOXYOL TEMPLATE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2002-09-10 US claimed
WO-2000006525-A9 SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS HARVARD COLLEGE (US) 2000-04-20 WO claimed
WO-2000006525-A2 SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-02-10 WO claimed
US-12551555-B2 Compositions and methods for potentiating immune activity KUMQUAT BIOSCIENCES INC. (US) 2026-02-17 US disclosed
CN-117417272-A Preparation method of Boc-D-isoleucine 上海海皋科技有限公司 2024-01-19 CN disclosed
WO-2000006525-A2 SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-02-10 WO disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
EP-0430556-A2 (1-Akylsubstituted) and 1,1-dialkylsubstituted) carbacephalosporins ELI LILLY AND COMPANY (US) 1991-06-05 EP 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 (7 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-10072043-B2 Inhibitors of protein tyrosine phosphatases PTPRCAP, PTPRF, PTPRS GLS 1001/4885NPC1 3543/4885LMNA 4734/4885
US-12551555-B2 Compositions and methods for potentiating immune activity PTPRCAP, PTPN2, PTPRC GLS 4322/4885NPC1 2688/4885LMNA 4799/4885
US-20160176922-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES PTPRCAP, PTPRF, PTPRS GLS 1001/4885NPC1 3543/4885LMNA 4734/4885
US-20080171698-A1 Anti-hypertensive molecules and process for preparation thereof REN, ACE, AGT GLS 67/4885NPC1 1974/4885LMNA 1317/4885
US-20120088720-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES PTPRCAP, PTPRF, PTPRS GLS 1001/4885NPC1 3543/4885LMNA 4734/4885
US-20050032709-A1 Anti-hypertensive molecules and process for preparation thereof AGT, ACE, REN GLS 102/4885NPC1 1474/4885LMNA 1250/4885
US-20030082830-A1 Synthesis of combinatorial libraries of compounds reminiscent of natural products TKFC, NISCH, PTGIS GLS 2797/4885NPC1 4176/4885LMNA 4480/4885

“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.