SCHEMBL1189230

SCHEMBL1189230

O=C(CCC1CCCC1)N1C(=O)OC[C@@H]1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NAAA Q02083 3/20 0.46
ALDH1A1 P00352 4/20 0.45
IDH1 O75874 4/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HIF1A Q16665 1/20 0.41
USP19 O94966 1/20 0.40
DAGLA Q9Y4D2 2/20 0.39
ABHD6 Q9BV23 1/20 0.39
KLK7 P49862 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL4189291 1.00 LMNA (0.48) LMNAMAPK1SMN1; SMN2NAAAALDH1A1
SCHEMBL4189285 1.00 LMNA (0.48) LMNAMAPK1SMN1; SMN2NAAAALDH1A1
SCHEMBL3637332 0.99 LMNA (0.47) LMNAMAPK1SMN1; SMN2NAAAALDH1A1
SCHEMBL9743493 0.99 LMNA (0.47) LMNAMAPK1SMN1; SMN2NAAAALDH1A1
SCHEMBL9557087 0.99 LMNA (0.47) LMNAMAPK1SMN1; SMN2NAAAALDH1A1
SCHEMBL9743484 0.99 LMNA (0.47) LMNAMAPK1SMN1; SMN2NAAAALDH1A1
SCHEMBL3773685 0.99 LMNA (0.47) LMNAMAPK1SMN1; SMN2NAAAALDH1A1
SCHEMBL19814964 0.98 NAAA (0.46) LMNAMAPK1SMN1; SMN2NAAAALDH1A1
SCHEMBL7495438 0.98 NAAA (0.46) LMNAMAPK1SMN1; SMN2NAAAALDH1A1
SCHEMBL15443176 0.95 NAAA (0.48) LMNAMAPK1SMN1; SMN2NAAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107032992-A A kind of synthetic method of (R) 4 (tert-butoxy) 2 (cyclopentyl-methyl) 4 ketobutyric acid 华东师范大学 2017-08-11 CN claimed
US-9771372-B2 Compounds useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2017-09-26 US disclosed
CN-107032992-A A kind of synthetic method of (R) 4 (tert-butoxy) 2 (cyclopentyl-methyl) 4 ketobutyric acid 华东师范大学 2017-08-11 CN disclosed
US-20170204098-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2017-07-20 US disclosed
EP-2991990-B1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2017-02-01 EP disclosed
EP-2991990-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS Active Biotech AB (SE) 2016-03-09 EP disclosed
WO-2015177367-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2015-11-26 WO disclosed
EP-2217226-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2015-07-22 EP disclosed
US-20140323476-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2014-10-30 US disclosed
EP-2785348-A1 PEPTIDE DEFORMYLASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2014-10-08 EP disclosed
EP-1210330-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-06-05 EP disclosed
EP-1169031-A1 ANTIMICROBIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-01-09 EP disclosed
US-6316633-B1 CARTILAGE PROTECTIVE AGENTS AND USEFUL IN THE THERAPY AND PROPHYLAXIS OF DEGENERATIVE JOINT DISEASES SUCH AS ATHEROSCLEROSIS HOFFMAN-LA ROCHE INC. 2001-11-13 US disclosed
US-6197995-B1 INTERMEDIATES FOR CARTILAGE PROTECTIVE AGENTS USEFUL IN TREATMENT AND PREVENTION OF DEGENERATIVE JOINT DISEASES SUCH AS ATHEROSCLEROSIS HOFFMAN-LA ROCHE INC. 2001-03-06 US disclosed
WO-2001010835-A1 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-02-15 WO disclosed
EP-1052249-A1 Process for the preparation of hydroxamic acids F. HOFFMANN-LA ROCHE AG (CH) 2000-11-15 EP disclosed
WO-2000061134-A1 ANTIMICROBIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-10-19 WO disclosed
US-5952507-A Process for manufacture of chiral succinic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-09-14 US disclosed
EP-0911324-A1 Process for the preparation of chiral succinic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-04-28 EP disclosed
US-5128448-A Peptide hormones HOFFMAN-LA ROCHE INC. (US) 1992-07-07 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 (2 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-20170204098-A1 NOVEL COMPOUNDS USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B LMNA 1584/4885MAPK1 487/4885SMN1; SMN2 383/4885
US-20140323476-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DHPS, HAMP LMNA 3374/4885MAPK1 3164/4885SMN1; SMN2 2807/4885

“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.