SCHEMBL4277908

SCHEMBL4277908

COC(=O)c1ccc(-c2ccc[c]c2Cl)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.49
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
PDK4 Q16654 1/20 0.49
SLC6A3 Q01959 4/20 0.47
SLC6A4 P31645 3/20 0.47
GAA P10253 1/20 0.47
SLC6A2 P23975 1/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MYC P01106 1/20 0.42
EGFR P00533 1/20 0.41
ABL1 P00519 1/20 0.39
ROCK2 O75116 1/20 0.38
CSF1R P07333 1/20 0.38

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
SCHEMBL4280909 0.85 ALDH1A1 (0.41) CA9KDM4EMAPT
SCHEMBL4277490 0.84 PDK2 (0.40) PDK2GAALMNAKDM4ECYP1A2
SCHEMBL4282490 0.82 MKNK1 (0.47) PDK2TSHRKDM4EMAPT
SCHEMBL4282096 0.81 MEN1 (0.41) PDK2PDK4SMN1; SMN2L3MBTL1
SCHEMBL8200161 0.77 CA12 (0.71) PDK2CA12CA1CA2CA7
SCHEMBL1967336 0.76 SLC6A3 (0.51) CA1CA2CA9SLC6A3SLC6A4
SCHEMBL4276945 0.75 APP (0.40) TSHRKDM4EMAPTCYP1A2CYP2D6
SCHEMBL4276821 0.75 APP (0.42) TSHR
SCHEMBL4277096 0.74 MAPK1 (0.49) SLC6A3SLC6A4GAALMNASMN1; SMN2
SCHEMBL10004832 0.73 PDK2 (0.56) PDK2CA12CA1CA2CA7

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 PDK2 3935/4885CA12 4115/4885CA1 2231/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 PDK2 3769/4885CA12 4120/4885CA1 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.