SCHEMBL2636058

SCHEMBL2636058

COC(=O)C1CCCN1C(=O)CCl

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
ALDH1A1 P00352 3/20 0.51
FKBP1A P62942 2/20 0.50
LMNA P02545 2/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PKM P14618 1/20 0.48
PEPD P12955 2/20 0.47
XPNPEP1 Q9NQW7 1/20 0.44
ACE P12821 1/20 0.44
KLK5 Q9Y337 1/20 0.42
ALOX5 P09917 1/20 0.41

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
SCHEMBL8248348 1.00 POLB (0.52) POLBALDH1A1FKBP1ALMNARAB9A
SCHEMBL5097555 0.95 FKBP1A (0.56) POLBALDH1A1FKBP1ALMNARAB9A
SCHEMBL2770377 0.90 FKBP1A (0.42) POLBALDH1A1FKBP1ALMNARAB9A
SCHEMBL7333530 0.85 POLB (0.54) POLBALDH1A1FKBP1ALMNARAB9A
SCHEMBL4179454 0.85 FKBP1A (0.55) POLBALDH1A1FKBP1ALMNARAB9A
SCHEMBL7333522 0.85 POLB (0.54) POLBALDH1A1FKBP1ALMNARAB9A
SCHEMBL13662643 0.85 FKBP1A (0.55) POLBALDH1A1FKBP1ALMNARAB9A
SCHEMBL23135776 0.83 ALDH1A1 (0.54) POLBALDH1A1FKBP1ALMNARAB9A
SCHEMBL5491765 0.83 LMNA (0.54) POLBALDH1A1FKBP1ALMNARAB9A
SCHEMBL683797 0.83 POLB (0.52) POLBALDH1A1FKBP1ALMNARAB9A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3110795-A1 NOVEL ECONOMIC PROCESS FOR VILDAGLIPTIN Hikal Limited (IN) 2017-01-04 EP disclosed
WO-2015128718-A1 NOVEL ECONOMIC PROCESS FOR VILDAGLIPTIN HIKAL LIMITED (IN) 2015-09-03 WO disclosed
EP-1343493-B1 USE OF(-) (3-HALOMETHYLPHENOXY) (4-HALOPHENYL) ACETIC ACID DERIVATIVES FOR TREATMENT OF INSULIN RESISTANCE, TYPE 2 DIABETES AND HYPERURICEMIA METABOLEX INC (US) 2012-10-31 EP disclosed
US-8288438-B2 Methods for avoiding edema in the treatment or prevention of PPARγ-responsive diseases, including cancer METABOLEX, INC. (US) 2012-10-16 US disclosed
US-8288438-B2 Methods for avoiding edema in the treatment or prevention of PPARγ-responsive diseases, including cancer METABOLEX, INC. (US) 2012-10-16 US disclosed
US-20120220577-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO KGAA 2012-08-30 US disclosed
EP-2438037-A1 GLYCINE B ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2012-04-11 EP disclosed
WO-2010139481-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2010-12-09 WO disclosed
US-20080269189-A1 Method for Avoiding Edema in the Treatment or Prevention of Ppary-Responsive Diseases, Including Cancer DIATEX, INC. 2008-10-30 US disclosed
US-20080269189-A1 Method for Avoiding Edema in the Treatment or Prevention of Ppary-Responsive Diseases, Including Cancer DIATEX, INC. 2008-10-30 US disclosed
US-20080194646-A1 Methods For Avoiding Edema in the Treatment of Metabolic, Inflammatory, and Cardiovascular Disorders DIATEX, INC. 2008-08-14 US disclosed
US-20080194646-A1 Methods For Avoiding Edema in the Treatment of Metabolic, Inflammatory, and Cardiovascular Disorders DIATEX, INC. 2008-08-14 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-20080269189-A1 Method for Avoiding Edema in the Treatment or Prevention of Ppary-Responsive Diseases, Including Cancer PPARG, PPARA, PPARD POLB 1516/4885ALDH1A1 1316/4885FKBP1A 1774/4885
US-20120220577-A1 GLYCINE B ANTAGONISTS GLRB, GRIN2B, GLRA2 POLB 2948/4885ALDH1A1 3645/4885FKBP1A 406/4885
US-20080194646-A1 Methods For Avoiding Edema in the Treatment of Metabolic, Inflammatory, and Cardiovascular Disorders PPARG, PPARA, PPARD POLB 2499/4885ALDH1A1 336/4885FKBP1A 2373/4885

“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.