SCHEMBL2900646

SCHEMBL2900646

CC(=O)O[CH]C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
HSD11B1 P28845 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
EPHX1 P07099 6/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
MAPT P10636 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP3A4 P08684 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL23576541 0.88
SCHEMBL15823364 0.77 EPHX1 (0.37) CES2CES1SMN1; SMN2EPHX1NPC1
SCHEMBL2906286 0.77 CYP19A1 (0.32) CES2CES1EPHX1
SCHEMBL2908887 0.77 TSHR (0.36) CES2CES1ALDH1A1TSHREPHX1
SCHEMBL2907813 0.77 NAAA (0.36) HSD11B1ALDH1A1EPHX1NPSR1EPHX2
SCHEMBL1186624 0.76
SCHEMBL312980 0.76 CES2 (0.42) CES2CES1ALDH1A1TSHRSMN1; SMN2
SCHEMBL9852667 0.76 TSHR (0.34) ALDH1A1TSHRSMN1; SMN2NPSR1EPHX2
SCHEMBL697219 0.74 NAAA (0.34) HSD11B1ALDH1A1EPHX1EPHX2
SCHEMBL698468 0.74 ALDH1A1 (0.43) ALDH1A1TSHRNPSR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101868460-A 2-arylmethylazetidine-carbapenem-3-carboxylic acid ester derivative or its salt, process for the preparation thereof and pharmaceutical composition comprising the same KUKJE PHARM IND CO LTD 2010-10-20 CN claimed
CN-102123588-B Substituted imidazole combinations PFIZER 2013-10-23 CN disclosed
CN-101594861-B Modulation of prostaglandin/cyclooxygenase metabolic pathways HUNTER FLEMING LTD GB 2013-06-12 CN disclosed
CN-101166534-B Therapeutic agent for chronic obstructive pulmonary disease DAINIPPON SUMITOMO PHARMA CO 2011-09-21 CN disclosed
CN-102123588-A Substituted imidazole combinations PFIZER 2011-07-13 CN disclosed
CN-101868460-A 2-arylmethylazetidine-carbapenem-3-carboxylic acid ester derivative or its salt, process for the preparation thereof and pharmaceutical composition comprising the same KUKJE PHARM IND CO LTD 2010-10-20 CN disclosed
EP-2217564-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XenoPort, Inc. (US) 2010-08-18 EP disclosed
CN-101594861-A The adjusting of prostaglandin/cyclooxygenase metabolic pathways HUNTER FLEMING LTD (GB) 2009-12-02 CN disclosed
US-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. 2009-03-19 US disclosed
WO-2009033054-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE XENOPORT, INC. (US) 2009-03-12 WO disclosed
CN-101151031-A Tricyclic cytoprotective compounds HUNTER FLEMING LTD (GB) 2008-03-26 CN disclosed
CN-1330652-C Novel carbapenem compounds SUMITOMO PHARMA (JP) 2007-08-08 CN disclosed
CN-1247582-C Novel carbapenem compounds DAINIPPON SUMITOMO PHARMACEUTI (JP) 2006-03-29 CN disclosed
CN-1612879-A Novel carbapenem compounds SUMITOMO PHARMA (JP) 2005-05-04 CN disclosed
CN-1489589-A Novel carbapenem compounds ס����ҩ��ʽ���� 2004-04-14 CN disclosed
CN-1065532-C Thiazolidine and oxazolidine derivatives, their preparation and their medical use SANKYO CO (JP) 2001-05-09 CN disclosed
EP-0580429-B1 Use of competitive NMDA receptor antagonists in the treatment of urinary incontinence LILLY CO ELI (US) 1997-01-22 EP disclosed
CN-1132750-A Thiazolidine and oxazolidine derivatives, their preparation and their medical use SANKYO CO (JP) 1996-10-09 CN disclosed
EP-0580429-A1 Use of competitive NMDA receptor antagonists in the treatment of urinary incontinence ELI LILLY AND COMPANY (US) 1994-01-26 EP disclosed
US-5192751-A Administering a decahydroisoquinoline derivative ELI LILLY AND COMPANY (US) 1993-03-09 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 (1 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-20090076147-A1 COMPLEX PANTOIC ACID ESTER NEOPENTYL SULFONYL ESTER CYCLIZATION RELEASE PRODRUGS OF ACAMPROSATE, COMPOSITIONS THEREOF, AND METHODS OF USE ADSL, SLC19A1, SLC25A21 CES2 537/4885CES1 1564/4885HSD11B1 3030/4885

“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.