SCHEMBL4284749

SCHEMBL4284749

CCOS(=O)(=O)N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 7/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 4/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 2/20 0.37
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL21625543 0.90 CA1 (0.42) GAANPSR1CA1CA2POLB
SCHEMBL5006830 0.80 KDM4E (0.42) CA1CA2KMT2AALDH1A1KDM4E
SCHEMBL465093 0.80 CA12 (0.48) TSHRALDH1A1HTTMAPK1KDM4E
SCHEMBL29228948 0.79 KDM4E (0.41) CA1CA2KMT2AALDH1A1KDM4E
SCHEMBL27501119 0.79 CA1 (0.33) GAACA1CA2
SCHEMBL27896468 0.79 CA12 (0.46) TSHRALDH1A1HTTMAPK1KDM4E
Water SCHEMBL27714980 0.79 CA12 (0.46) TSHRALDH1A1HTTMAPK1KDM4E
SCHEMBL3987207 0.74 POLB (0.34) GAANPSR1CA1CA2POLB
SCHEMBL1396234 0.74 ALDH1A1 (0.45) GAACA1CA2POLBKMT2A
SCHEMBL27951710 0.73 ALDH1A1 (0.44) GAACA1CA2POLBKMT2A

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
CN-103265477-A Aminoheteroaryl compounds as protein kinase inhibitors SUGEN INC 2013-08-28 CN 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 GAA 2286/4885NPSR1 4764/4885CA1 2231/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 GAA 2553/4885NPSR1 4780/4885CA1 2044/4885

“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.