SCHEMBL5580928

SCHEMBL5580928

Cc1ccccc1CC(N)CCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.47
DPP7 Q9UHL4 1/20 0.47
S1PR2 O95136 1/20 0.44
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
DPP8 Q6V1X1 2/20 0.44
DPP9 Q86TI2 2/20 0.44
FAP Q12884 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
CPA3 P15088 1/20 0.42
ANPEP P15144 3/20 0.42
ENPEP Q07075 3/20 0.42
SLC15A1 P46059 1/20 0.41
HPGD P15428 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
SCHEMBL5340826 0.86 S1PR2 (0.54) S1PR2S1PR1S1PR3ALDH1A1ANPEP
SCHEMBL29478407 0.83 DPP4 (0.56) DPP4DPP7S1PR2S1PR1DPP8
SCHEMBL2029955 0.83 DPP4 (0.56) DPP4DPP7S1PR2S1PR1DPP8
SCHEMBL975050 0.83 DPP4 (0.56) DPP4DPP7S1PR2S1PR1DPP8
SCHEMBL29478392 0.83 DPP4 (0.56) DPP4DPP7S1PR2S1PR1DPP8
SCHEMBL975049 0.83 DPP4 (0.56) DPP4DPP7S1PR2S1PR1DPP8
SCHEMBL288446 0.82 CYP1A2 (0.44) S1PR2S1PR1S1PR3ALDH1A1CYP1A2
SCHEMBL12475374 0.82 AKR1B1 (0.52) S1PR2S1PR1S1PR3ALDH1A1CYP1A2
SCHEMBL27999551 0.82 CYP1A2 (0.44) S1PR2S1PR1S1PR3ALDH1A1CYP1A2
SCHEMBL289226 0.81 FOLH1 (0.45) DPP4S1PR2S1PR1S1PR3DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070258899-A1 Diagnostic and therapeutic agents KARYON-CTT LTD (FI) 2007-11-08 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 (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-20070258899-A1 Diagnostic and therapeutic agents YBX1, MLX, TPX2 DPP4 3194/4885DPP7 3508/4885S1PR2 1899/4885

“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.