SCHEMBL4280262

SCHEMBL4280262

NS(=O)(=O)c1ccc[c]c1C1CCc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
HTR6 P50406 1/20 0.38
ADRA1A P35348 1/20 0.36
IDO1 P14902 2/20 0.36
SIGMAR1 Q99720 1/20 0.35
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
PIN1 Q13526 1/20 0.33
CA12 O43570 1/20 0.33
CYP2C9 P11712 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
PTPN7 P35236 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PDPK1 O15530 1/20 0.33

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
SCHEMBL4274116 0.83 PDPK1 (0.39) CA1CA2HTR6ADRA1ASIGMAR1
SCHEMBL4275619 0.79 PIN1 (0.43) CA1CA2ADRA1AIDO1SIGMAR1
SCHEMBL4276692 0.76 PIN1 (0.42) ADRA1AIDO1SIGMAR1PIN1
SCHEMBL485380 0.76 CA1 (0.45) CA1CA2HTR6ADRA1AIDO1
SCHEMBL4276972 0.76 ADRA1A (0.40) ADRA1AIDO1SIGMAR1PIN1PDPK1
SCHEMBL4276600 0.76 ADRA1A (0.40) ADRA1AIDO1SIGMAR1CYP2C9MAOA
SCHEMBL4274901 0.75 ADRA1A (0.41) CA1CA2ADRA1ASIGMAR1MAOA
SCHEMBL4277538 0.74 PIN1 (0.43) ADRA1ASIGMAR1PIN1
SCHEMBL4274905 0.72 PIN1 (0.46) ADRA1ASIGMAR1PIN1
SCHEMBL9988082 0.70 ADRA2A (0.43) ADRA1AIDO1PIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 EP disclosed
US-20090176307-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-07-09 US disclosed
US-7491826-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 US disclosed
US-7399866-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2008-07-15 US disclosed
US-20060241110-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2006-10-26 US disclosed
US-20050159416-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2005-07-21 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-20060241110-A1 Compounds, compositions, and methods TNNI3, TNNT2, TNNC1 CA1 2231/4885CA2 570/4885HTR6 2501/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 CA1 2044/4885CA2 495/4885HTR6 2756/4885

“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.