SCHEMBL2387697

SCHEMBL2387697

CCOC(=O)[C@@H]1O[C@H]1C(=O)OCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
PPM1B O75688 1/20 0.47
PTPN1 P18031 1/20 0.47
PPP1CC P36873 1/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 3/20 0.45
CTSL P07711 2/20 0.45
CAPN1 P07384 2/20 0.45
CTSB P07858 1/20 0.45
CTSG P08311 1/20 0.45
HSD17B10 Q99714 1/20 0.43
ALOX15 P16050 1/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
SOAT1 P35610 1/20 0.42
TRPA1 O75762 1/20 0.39
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 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
SCHEMBL2387688 1.00 TSHR (0.55) TSHRPPM1BPTPN1PPP1CCALDH1A1
SCHEMBL5317413 1.00 TSHR (0.55) TSHRPPM1BPTPN1PPP1CCALDH1A1
SCHEMBL2387693 1.00 TSHR (0.55) TSHRPPM1BPTPN1PPP1CCALDH1A1
SCHEMBL11545787 1.00 TSHR (0.55) TSHRPPM1BPTPN1PPP1CCALDH1A1
SCHEMBL5556039 0.97 TSHR (0.53) TSHRPPM1BPTPN1PPP1CCALDH1A1
SCHEMBL12831369 0.91 TSHR (0.49) TSHRPPM1BPTPN1PPP1CCALDH1A1
SCHEMBL12635439 0.91 TSHR (0.49) TSHRPPM1BPTPN1PPP1CCALDH1A1
SCHEMBL29234725 0.91 TSHR (0.53) TSHRPPM1BPTPN1PPP1CCALDH1A1
SCHEMBL1238213 0.91 TSHR (0.53) TSHRPPM1BPTPN1PPP1CCALDH1A1
SCHEMBL1806931 0.91 TSHR (0.53) TSHRPPM1BPTPN1PPP1CCALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4048671-B1 PYRIDOPYRIMIDINE DERIVATIVES USEFUL AS KRAS G12C AND KRAS G12D INHIBITORS IN THE TREATMENT OF CANCER AMGEN INC (US) 2026-03-18 EP disclosed
EP-4684786-A2 PYRIDOPYRIMIDINE DERIVATIVES USEFUL AS KRAS G12C AND KRAS G12D INHIBITORS IN THE TREATMENT OF CANCER Amgen Inc. (US) 2026-01-28 EP disclosed
US-20240190862-A1 EPOXYAMIDES AS KRAS G12C AND KRAS G12D INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2024-06-13 US disclosed
EP-2811999-B1 NOVEL CYSTEINE PROTEASE INHIBITORS AND USES THEREOF UNIV COLUMBIA (US) 2021-10-27 EP disclosed
US-10647709-B2 Cysteine protease inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-05-12 US disclosed
US-20170008884-A1 NOVEL CYSTEINE PROTEASE INHIBITORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2017-01-12 US disclosed
US-9403843-B2 Cysteine protease inhibitors and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-08-02 US disclosed
US-20150045393-A1 Novel Cysteine Protease Inhibitors and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-12 US disclosed
EP-2811999-A1 NOVEL CYSTEINE PROTEASE INHIBITORS AND USES THEREOF The Trustees of Columbia University in the City of New York (US) 2014-12-17 EP disclosed
WO-2013116663-A1 NOVEL CYSTEINE PROTEASE INHIBITORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-08-08 WO disclosed
US-20090143351-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2009-06-04 US disclosed
US-20090143351-A1 SUBSTITUTED AZETIDINONES DAIAMED (US) 2009-06-04 US disclosed
US-7501404-B2 Substituted azetidinones DAIMED (US) 2009-03-10 US disclosed
US-7501404-B2 Substituted azetidinones DAIMED (US) 2009-03-10 US disclosed
US-20070105832-A1 Substituted azetidinones Cadrenal Therapeutics, Inc. 2007-05-10 US disclosed
US-20070105832-A1 Substituted azetidinones Cadrenal Therapeutics, Inc. 2007-05-10 US disclosed
US-20060172952-A1 Aza-peptide epoxides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-08-03 US disclosed
US-7056947-B2 For inhibiting (cysteine) proteases/caspases; for treatment of viral infections, stroke, neurodegenerative disease, and inflammatory diseases GEORGIA TECH RESEARCH CORP. (US) 2006-06-06 US disclosed
US-20040048327-A1 Aza-peptide epoxides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-03-11 US disclosed
EP-0655447-A1 Epoxysuccinic acid derivatives Takeda Chemical Industries, Ltd. (JP) 1995-05-31 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 (8 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-20070105832-A1 Substituted azetidinones F2R, CPA3, CFD TSHR 414/4885PPM1B 4517/4885PTPN1 3065/4885
US-20170008884-A1 NOVEL CYSTEINE PROTEASE INHIBITORS AND USES THEREOF CAPNS1, CAPN9, CAPN1 TSHR 4818/4885PPM1B 1879/4885PTPN1 2873/4885
US-20150045393-A1 Novel Cysteine Protease Inhibitors and Uses Thereof CAPNS1, CAPN9, CAPN1 TSHR 4818/4885PPM1B 1879/4885PTPN1 2873/4885
US-20240190862-A1 EPOXYAMIDES AS KRAS G12C AND KRAS G12D INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS TSHR 4494/4885PPM1B 2182/4885PTPN1 3117/4885
US-20060172952-A1 Aza-peptide epoxides CAPN9, CAPNS1, IAPP TSHR 4233/4885PPM1B 1371/4885PTPN1 3823/4885
US-10647709-B2 Cysteine protease inhibitors and uses thereof CAPNS1, CAPN9, CAPN1 TSHR 4771/4885PPM1B 1782/4885PTPN1 2433/4885
US-20090143351-A1 SUBSTITUTED AZETIDINONES F2R, CPA3, CFD TSHR 414/4885PPM1B 4517/4885PTPN1 3065/4885
US-20040048327-A1 Aza-peptide epoxides ANPEP, ENPEP, TMPRSS15 TSHR 4503/4885PPM1B 1421/4885PTPN1 1052/4885

“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.