SCHEMBL727158

SCHEMBL727158

COC(=O)[C@@H]1CCCC[C@@H]1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 2/20 0.44
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM3 P20309 1/20 0.43
PPM1B O75688 1/20 0.42
PTPN1 P18031 1/20 0.42

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
SCHEMBL2952999 1.00 SLC6A2 (0.46) SLC6A2SLC6A4CYP2C19ALDH1A1LMNA
SCHEMBL16117460 1.00 SLC6A2 (0.46) SLC6A2SLC6A4CYP2C19ALDH1A1LMNA
SCHEMBL1295960 1.00 SLC6A2 (0.46) SLC6A2SLC6A4CYP2C19ALDH1A1LMNA
SCHEMBL15590800 1.00 SLC6A2 (0.46) SLC6A2SLC6A4CYP2C19ALDH1A1LMNA
SCHEMBL2953605 1.00 SLC6A2 (0.46) SLC6A2SLC6A4CYP2C19ALDH1A1LMNA
SCHEMBL16117467 1.00 SLC6A2 (0.46) SLC6A2SLC6A4CYP2C19ALDH1A1LMNA
SCHEMBL30850208 1.00 SLC6A2 (0.46) SLC6A2SLC6A4CYP2C19ALDH1A1LMNA
SCHEMBL3944070 1.00 SLC6A2 (0.46) SLC6A2SLC6A4CYP2C19ALDH1A1LMNA
SCHEMBL12653679 0.98 SLC6A2 (0.49) SLC6A2SLC6A4CYP2C19ALDH1A1LMNA
SCHEMBL13081194 0.98 SLC6A2 (0.49) SLC6A2SLC6A4CYP2C19ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2576803-B1 PREPARATION OF (3aS,7aR)-HEXAHYDROISOBENZOFURAN-1(3H)-ONE BY CATALYZED BIOLOGICAL RESOLUTION OF DIMETHYL CYCLOHEXANE-1,2-DICARBOXYLATE BGP PRODUCTS OPERATIONS GMBH (CH) 2019-07-10 EP claimed
US-9080193-B2 Preparation of (3aS,7aR)-hexahydroisobenzofuran-1(3H)-one by catalyzed biological resolution of dimethyl cyclohexane-1,2-dicarboxylate ABBVIE INC. (US) 2015-07-14 US claimed
US-20130273618-A1 PREPARATION OF (3aS,7aR)-HEXAHYDROISOBENZOFURAN-1(3H)-ONE BY CATALYZED BIOLOGICAL RESOLUTION OF DIMETHYL CYCLOHEXANE-1,2-DICARBOXYLATE ABBOTT PRODUCTS OPERATIONS AG (CH) 2013-10-17 US claimed
EP-2576803-A2 PREPARATION OF (3aS,7aR)-HEXAHYDROISOBENZOFURAN-1(3H)-ONE BY CATALYZED BIOLOGICAL RESOLUTION OF DIMETHYL CYCLOHEXANE-1,2-DICARBOXYLATE Abbott Products Operations AG (CH) 2013-04-10 EP claimed
WO-2011149938-A2 PREPARATION OF (3aS,7aR)-HEXAHYDROISOBENZOFURAN-1(3H)-ONE BY CATALYZED BIOLOGICAL RESOLUTION OF DIMETHYL CYCLOHEXANE-1,2-DICARBOXYLATE DR. REDDY'S LABORATORIES LTD. (IN) 2011-12-01 WO claimed
WO-2025043079-A1 COMPOUNDS, COMPOSITIONS, AND METHODS LHOTSE BIO, INC. (US) 2025-02-27 WO disclosed
US-10729778-B2 Carrier-linked treprostinil prodrugs ASCENDIS PHARMA A/S (DK) 2020-08-04 US disclosed
EP-2576803-B1 PREPARATION OF (3aS,7aR)-HEXAHYDROISOBENZOFURAN-1(3H)-ONE BY CATALYZED BIOLOGICAL RESOLUTION OF DIMETHYL CYCLOHEXANE-1,2-DICARBOXYLATE BGP PRODUCTS OPERATIONS GMBH (CH) 2019-07-10 EP disclosed
US-20190105400-A1 Carrier-Linked Treprostinil Prodrugs ASCENDIS PHARMA A/S (DK) 2019-04-11 US disclosed
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 US disclosed
EP-2978313-B1 PROCESS OF MAKING PROSTACYCLIN COMPOUNDS WITH LINKER THIOL AND PEGYLATED FORMS UNITED THERAPEUTICS CORP (US) 2018-02-21 EP disclosed
US-9872864-B2 Sustained release composition of prostacyclin ASCENDIS PHARMA A/S (DK) 2018-01-23 US disclosed
US-5239078-A Collagenase enzyme inhibitors GLYCOMED INCORPORATED (US) 1993-08-24 US disclosed
WO-1993013741-A2 INHIBITION OF ANGIOGENESIS BY SYNTHETIC MATRIX METALLOPROTEASE INHIBITORS GLYCOMED, INC. (US) 1993-07-22 WO disclosed
US-5189178-A Preventing protein destruction GALARDY RICHARD E (US) 1993-02-23 US disclosed
US-5183900-A Matrix metalloprotease inhibitors GALARDY RICHARD E (US) 1993-02-02 US disclosed
WO-1992009563-A1 IMPROVED MATRIX METALLOPROTEASE INHIBITORS GLYCOMED, INC. (US) 1992-06-11 WO disclosed
WO-1992009556-A1 IMPROVED MATRIX METALLOPROTEASE INHIBITORS GALARDY RICHARD E (US) 1992-06-11 WO disclosed
WO-1992009282-A1 TREATMENT FOR TISSUE ULCERATION THE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 1992-06-11 WO disclosed
US-5114953-A Peptides UNIVERSITY OF FLORIDA (US) 1992-05-19 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-10729778-B2 Carrier-linked treprostinil prodrugs PAH, SLC16A1, SLC34A3 SLC6A2 27/4885SLC6A4 117/4885CYP2C19 86/4885
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, PARP12, TFPI2 SLC6A2 4344/4885SLC6A4 4083/4885CYP2C19 981/4885
US-20190105400-A1 Carrier-Linked Treprostinil Prodrugs PAH, TK1, SLC16A1 SLC6A2 31/4885SLC6A4 93/4885CYP2C19 120/4885

“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.