SCHEMBL4773458

SCHEMBL4773458

CN1CCC(c2ccc(N(Cc3cccc(Cl)c3Cl)S(C)(=O)=O)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
LSS P48449 1/20 0.44
JAK2 O60674 4/20 0.40
JAK3 P52333 4/20 0.40
PTK2 Q05397 4/20 0.40
GHSR Q92847 1/20 0.39
PER2 O15055 2/20 0.38
CRY1 Q16526 2/20 0.38
CRY2 Q49AN0 2/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
GAA P10253 3/20 0.37
CXCR2 P25025 1/20 0.36
RECQL P46063 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
SLC6A2 P23975 1/20 0.36

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
SCHEMBL4775109 0.86 SLC6A4 (0.44) ALDH1A1GAASLC6A2
SCHEMBL4768022 0.83 STS (0.50) ALDH1A1
SCHEMBL4768070 0.81 SLC6A4 (0.44) SLC6A2
SCHEMBL4771201 0.78 LMNA (0.50) ALDH1A1CRY1CRY2GAARECQL
SCHEMBL4777553 0.77 ALDH1A1 (0.49) ALDH1A1PER2CRY1CRY2NPSR1
SCHEMBL5567930 0.77 STS (0.44) ALDH1A1
SCHEMBL4773540 0.75 GAA (0.43) ALDH1A1HPGDGAARECQL
SCHEMBL4772377 0.75 PNMT (0.47) ALDH1A1GAARECQL
SCHEMBL4792816 0.75 ALDH1A1 (0.41) ALDH1A1HPGDNPSR1GAARECQL
SCHEMBL4777371 0.74 ALDH1A1 (0.57) ALDH1A1NPSR1GAARECQLSLC6A2

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-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP claimed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US claimed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP disclosed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US disclosed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO 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 (1 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-20070135435-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 ALDH1A1 2159/4885LSS 3012/4885JAK2 3424/4885

“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.