SCHEMBL2959929

SCHEMBL2959929

COc1ccc(CCOS(C)(=O)=O)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA5A P35218 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ATM Q13315 2/20 0.54
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.51
CYP19A1 P11511 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
HTT P42858 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
HSP90AA1 P07900 1/20 0.49
AOC3 Q16853 1/20 0.49
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL31490068 1.00 CA2 (0.55) CA2CA12CA1CA5ACA9
SCHEMBL7996869 0.92 PTPN1 (0.50) CA2CA12CA1CA5ACA9
SCHEMBL2453696 0.90 CA2 (0.52) CA2CA12CA1CA5ACA9
SCHEMBL4860328 0.89 CA2 (0.51) CA2CA12CA1CA5ACA9
SCHEMBL13250641 0.88 HIF1A (0.45) CA2CA12CA1CA5ACA9
SCHEMBL10451442 0.86 PTGS2 (0.50) CA2CA12CA1CA5ACA9
SCHEMBL15136763 0.86 ALDH1A1 (0.44) CA2CA12CA1CA5ACA9
SCHEMBL10620436 0.85 CA2 (0.61) CA2CA12CA1CA5ACA9
SCHEMBL5937259 0.85 KDM4E (0.53) SMN1; SMN2KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL2592712 0.84 CA2 (0.60) CA2CA12CA1CA5ACA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3761950-B1 BIOISPIRED PROTEASOME ACTIVATORS WITH ANTIAGEING ACTIVITY IOULIA & IRENE TSETI PHARMACEUTICAL LABORATORIES IND AND COMMERCIAL S A (GR) 2025-04-09 EP disclosed
US-20230063230-A1 NURR1 RECEPTOR MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-02 US disclosed
EP-3927330-A1 NURR1 RECEPTOR MODULATORS The Regents of the University of California (US) 2021-12-29 EP disclosed
EP-3761950-A1 BIOISPIRED PROTEASOME ACTIVATORS WITH ANTIAGEING ACTIVITY IOULIA AND IRENE TSETI Pharmaceutical Laboratories S.A. (GR) 2021-01-13 EP disclosed
WO-2019171088-A1 BIOISPIRED PROTEASOME ACTIVATORS WITH ANTIAGEING ACTIVITY NATIONAL HELLENIC RESEARCH FOUNDATION (GR) 2019-09-12 WO disclosed
US-7772229-B2 Oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2010-08-10 US disclosed
US-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20090326221-A1 New oxabispidine compunds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB, (SE) 2009-12-31 US disclosed
EP-2128136-A1 2-PHENYLNICOTINIC ACID DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2009-12-02 EP disclosed
CN-101265262-A New oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2008-09-17 CN disclosed
US-20020137766-A1 Azabicyclooctane derivatives useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2002-09-26 US disclosed
EP-1235831-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-09-04 EP disclosed
WO-2002009706-A1 AGONISTS OF FOLLICLE STIMULATING HORMONE ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2002-02-07 WO disclosed
WO-2001028992-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2001-04-26 WO disclosed
EP-0700385-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1996-03-13 EP disclosed
WO-1994027967-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1994-12-08 WO disclosed
EP-0256888-B1 BENZOTHIAZEPINE VASODILATORS HAVING ARALKYL SUBSTITUTION McNeilab, Inc. (US) 1991-07-03 EP disclosed
US-4937373-A Substituted naphthalene carboxylic acids HOFFMANN-LA ROCHE INC. (US) 1990-06-26 US disclosed
US-4729994-A Benzothiazepine vasodilators having aralkyl substitution MCNEILAB, INC. (US) 1988-03-08 US disclosed
EP-0256888-A1 Benzothiazepine vasodilators having aralkyl substitution McNeilab, Inc. (US) 1988-02-24 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 (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-20090326221-A1 New oxabispidine compunds useful in the treatment of cardiac arrhythmias KCNH1, CACNA1E, SCN1B CA2 2213/4885CA12 3283/4885CA1 1625/4885
US-20100004459-A1 2-PHENYLNICOTINIC ACID DERIVATIVE XDH, NUDT1, PNPO CA2 2808/4885CA12 4815/4885CA1 4743/4885
US-20230063230-A1 NURR1 RECEPTOR MODULATORS NR2E3, NR4A2, NR0B1 CA2 4851/4885CA12 4762/4885CA1 4527/4885
US-20020137766-A1 Azabicyclooctane derivatives useful in the treatment of cardiac arrhythmias KCNH1, KCNH2, KCNH3 CA2 2353/4885CA12 2908/4885CA1 1621/4885

“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.