SCHEMBL3902842

SCHEMBL3902842

CC(C)(C)OC(=O)N1CCc2cc(OCc3ccc(-c4ccccc4)c(C#N)c3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.47
S1PR1 P21453 11/20 0.44
DHODH Q02127 1/20 0.42
GHSR Q92847 3/20 0.42
ROCK2 O75116 1/20 0.41
FFAR1 O14842 2/20 0.41
AKR1B1 P15121 1/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41

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
SCHEMBL13957119 0.88 DHODH (0.45) S1PR1DHODHGHSRROCK2PDK1
SCHEMBL3903665 0.86 GHSR (0.49) DHODHGHSRROCK2PDK1PDK2
SCHEMBL3912242 0.86 POLB (0.43) S1PR1DHODHGHSRROCK2FFAR1
SCHEMBL3903728 0.85 DHODH (0.41) DHODHGHSRROCK2PDK1PDK2
SCHEMBL3902824 0.85 GHSR (0.44) S1PR1DHODHGHSRROCK2FFAR1
SCHEMBL3902107 0.85 PTPN1 (0.52) PTPN1S1PR1
SCHEMBL13598181 0.85 PTPN1 (0.52) PTPN1S1PR1
SCHEMBL30102438 0.84 PDK1 (0.54) DHODHGHSRROCK2PDK1PDK2
SCHEMBL3905087 0.84 PDK1 (0.54) DHODHGHSRROCK2PDK1PDK2
SCHEMBL3902299 0.82 PDK1 (0.51) DHODHGHSRROCK2PDK1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 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 (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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 PTPN1 1733/4885S1PR1 3/4885DHODH 2749/4885

“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.