SCHEMBL1663158

SCHEMBL1663158

COCC(=O)C(C)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
CA12 O43570 3/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 3/20 0.37
HPGD P15428 1/20 0.35
TSHR P16473 2/20 0.32
CA7 P43166 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 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
SCHEMBL6958166 0.82 ALDH1A1 (0.39) HPGDTSHRALDH1A1KDM4E
SCHEMBL114574 0.78 SMN1; SMN2 (0.41) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL2200318 0.78 CA1 (0.39) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL20931300 0.78 CA1 (0.39) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL262553 0.78 DDAH1 (0.35) SMN1; SMN2HPGDTSHRMAPT
SCHEMBL5143415 0.76 MGAM (0.44) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL28316523 0.76 SMN1; SMN2 (0.39) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL11028631 0.76 CA1 (0.38) SMN1; SMN2CA12CA1CA2CA9
Water SCHEMBL28808045 0.76 SMN1; SMN2 (0.39) SMN1; SMN2CA12CA1CA2CA9
SCHEMBL28341112 0.76 SMN1; SMN2 (0.44) SMN1; SMN2CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150005321-A1 Indole and azaindole modulators of the alpha 7 nAChR PROXIMAGEN LIMITED (GB) 2015-01-01 US disclosed
US-20150005321-A1 Indole and azaindole modulators of the alpha 7 nAChR PROXIMAGEN LIMITED (GB) 2015-01-01 US disclosed
US-20150005321-A1 Indole and azaindole modulators of the alpha 7 nAChR PROXIMAGEN LIMITED (GB) 2015-01-01 US disclosed
US-8796283-B2 Indole and azaindole modulators of the alpha 7 nachr PROXIMAGEN LIMITED (GB) 2014-08-05 US disclosed
US-8796283-B2 Indole and azaindole modulators of the alpha 7 nachr PROXIMAGEN LIMITED (GB) 2014-08-05 US disclosed
US-8796283-B2 Indole and azaindole modulators of the alpha 7 nachr PROXIMAGEN LIMITED (GB) 2014-08-05 US disclosed
EP-2488514-B1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR PROXIMAGEN LTD (GB) 2013-12-25 EP disclosed
US-20120283273-A1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR PROXIMAGEN LIMITED (UK) 2012-11-08 US disclosed
US-20120283273-A1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR PROXIMAGEN LIMITED (UK) 2012-11-08 US disclosed
US-20120283273-A1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR PROXIMAGEN LIMITED (UK) 2012-11-08 US disclosed
EP-2488514-A1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR Proximagen Limited (GB) 2012-08-22 EP disclosed
WO-2011045353-A1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR PROXIMAGEN LIMITED (GB) 2011-04-21 WO disclosed
WO-2011045353-A1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR PROXIMAGEN LIMITED (GB) 2011-04-21 WO disclosed
EP-2009004-A1 NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2008-12-31 EP disclosed
US-4892966-A FLAVORS FOR FOODS, TOBACCO GIVAUDAN CORPORATION (US) 1990-01-09 US disclosed
EP-0245315-A1 PROCESS FOR PREPARING -g(a)-HYDROXY CARBONYL COMPOUNDS. GIVAUDAN & CIE SA (CH) 1987-11-19 EP 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-20150005321-A1 Indole and azaindole modulators of the alpha 7 nAChR CHRNA7, CHRNA5, CHRNA1 SMN1; SMN2 2734/4885CA12 1476/4885CA1 1121/4885
US-20120283273-A1 INDOLE AND AZAINDOLE MODULATORS OF THE ALPHA 7 NACHR CHRNA7, CHRNA5, CHRNA1 SMN1; SMN2 2775/4885CA12 1492/4885CA1 1105/4885

“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.