SCHEMBL891152

SCHEMBL891152

NCCn1c(=O)[nH]c2ccc(C(=O)NC(CO)C(O)c3ccccc3)cc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.46
ROCK1 Q13464 3/20 0.46
DGAT2 Q96PD7 1/20 0.43
B3GNT2 Q9NY97 8/20 0.42
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GLA P06280 2/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
AURKA O14965 1/20 0.37
P2RX7 Q99572 2/20 0.36
ACSS2 Q9NR19 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL15282259 0.84 MAOB (0.38) ROCK2ROCK1B3GNT2P2RX7
SCHEMBL891054 0.82 B3GNT2 (0.46) B3GNT2KDM4EALDH1A1GLAGAA
SCHEMBL891155 0.78 B3GNT2 (0.58) B3GNT2ALDH1A1GAASMN1; SMN2
SCHEMBL891491 0.77 ALDH1A1 (0.56) B3GNT2KDM4EALDH1A1GLAGAA
SCHEMBL891057 0.76 MAPT (0.53) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL1064027 0.75 B3GNT2 (0.65) B3GNT2KDM4EALDH1A1GAAHPGD
SCHEMBL891245 0.75 KDM4E (0.48) B3GNT2KDM4EALDH1A1GLAGAA
SCHEMBL891547 0.74 B3GNT2 (0.48) B3GNT2KDM4EALDH1A1GLAGAA
SCHEMBL891255 0.73 B3GNT2 (0.44) B3GNT2KDM4EALDH1A1GLAGAA
SCHEMBL891385 0.73 B3GNT2 (0.51) B3GNT2KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268273-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2011-01-05 EP claimed
US-20120083493-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2012-04-05 US disclosed
EP-2268273-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2011-01-05 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-20120083493-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY TRPC4, TRPC3, TRPC1 ROCK2 3685/4885ROCK1 2902/4885DGAT2 4362/4885

“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.