SCHEMBL3369130

SCHEMBL3369130

CCOC(=O)c1cc(O)c2c(c1)OCCO2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA14 Q9ULX7 3/20 0.50
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
HPGD P15428 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
KDM4E B2RXH2 3/20 0.44

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
SCHEMBL6066738 0.88 RAB9A (0.51) CA12CA1CA2CA7CA9
SCHEMBL2800035 0.83 KDM4E (0.53) CA12CA1CA2CA7CA9
SCHEMBL56049 0.81 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL2866602 0.81 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL13131908 0.79 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL57211 0.79 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL7312575 0.77 KMT2A (0.45) CA12CA1CA2CA7CA9
SCHEMBL1464834 0.77 MAPK1 (0.69) MAPTMEN1KMT2AUSP2LMNA
SCHEMBL3375913 0.77 PLK1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL6044463 0.75 HSD17B10 (0.46) MAPTMEN1KMT2AUSP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863477-B1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2010-11-03 EP disclosed
US-7807709-B2 Organic compounds NOVARTIS AG (CH) 2010-10-05 US disclosed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 US disclosed
EP-1863477-A1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION Novartis AG (CH) 2007-12-12 EP disclosed
WO-2006100036-A1 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2006-09-28 WO disclosed
US-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides ELAN PHARMACEUTICALS, INC. 2006-07-13 US disclosed
US-5705658-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-01-06 US disclosed
US-5654445-A INTERMEDIATES FOR RENIN INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-08-05 US disclosed
US-5646143-A FOR TREATING A VARIETY OF CONDITIONS CIBA-GEIGY CORPORATION (US) 1997-07-08 US disclosed
US-5627182-A RENIN INHIBITORS FOR USE AS HYPOTENSIVE AGENTS CIBA GEIGY CORPORATION (US) 1997-05-06 US disclosed
US-5559111-A HYPOTENSIVE AGENTS; RENIN INHIBITORS; Aliskiren CIBA-GEIGY CORPORATION (US) 1996-09-24 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-20080194549-A1 Organic Compounds REN, ACE, OTC CA12 1565/4885CA1 1328/4885CA2 537/4885
US-20060154926-A1 Methods of treating alzheimer's disease using aryl alkanoic acid amides BACE1, APP, PSEN1 CA12 2443/4885CA1 221/4885CA2 1898/4885

“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.