SCHEMBL3902824

SCHEMBL3902824

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 5/20 0.44
FFAR1 O14842 2/20 0.42
DHODH Q02127 1/20 0.41
ADAMTS4 O75173 1/20 0.41
ROCK2 O75116 1/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
YAP1 P46937 2/20 0.39
GPR119 Q8TDV5 4/20 0.39
RIPK1 Q13546 1/20 0.39
S1PR1 P21453 1/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 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
SCHEMBL3912242 0.88 POLB (0.43) GHSRFFAR1DHODHADAMTS4ROCK2
SCHEMBL13957119 0.86 DHODH (0.45) GHSRDHODHROCK2PDK1PDK2
SCHEMBL3902481 0.86 GHSR (0.40) GHSRFFAR1ADAMTS4ROCK2RIPK1
SCHEMBL3903665 0.85 GHSR (0.49) GHSRDHODHROCK2PDK1PDK2
SCHEMBL3902842 0.85 PTPN1 (0.47) GHSRFFAR1DHODHROCK2PDK1
SCHEMBL3903728 0.83 DHODH (0.41) GHSRDHODHROCK2PDK1PDK2
SCHEMBL3905087 0.83 PDK1 (0.54) GHSRDHODHROCK2PDK1PDK2
SCHEMBL30102438 0.83 PDK1 (0.54) GHSRDHODHROCK2PDK1PDK2
SCHEMBL13598461 0.82 S1PR1 (0.42) FFAR1ADAMTS4ROCK2PDK1PDK2
SCHEMBL3905150 0.81 GHSR (0.45) GHSRDHODHROCK2PDK1PDK2

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 5 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
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 GHSR 214/4885FFAR1 23/4885DHODH 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.