SCHEMBL8402199

SCHEMBL8402199

CCCCOC(=O)C(N)Cc1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.51
SLC6A4 P31645 1/20 0.50
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
TPH1 P17752 2/20 0.45
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
DPP4 P27487 2/20 0.44
FAP Q12884 2/20 0.44
DPP8 Q6V1X1 2/20 0.44
DPP9 Q86TI2 2/20 0.44
DPP7 Q9UHL4 2/20 0.44
ACACB O00763 2/20 0.43

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
SCHEMBL14346818 1.00 LDHA (0.51) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL28190908 0.93 LDHA (0.53) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL28190907 0.93 LDHA (0.53) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL8485518 0.89 LDHA (0.47) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL2271874 0.87 SLC7A5 (0.54) CYP1A2CYP2D6CYP2C19
SCHEMBL6001388 0.87 SLC7A5 (0.54) CYP1A2CYP2D6CYP2C19
SCHEMBL16084879 0.87 SLC7A5 (0.54) CYP1A2CYP2D6CYP2C19
SCHEMBL839540 0.86 LDHA (0.56) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL3150323 0.86 LDHA (0.56) LDHASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL838803 0.86 LDHA (0.56) LDHASLC6A4CYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088762-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2012-04-12 US disclosed
US-8080576-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2011-12-20 US disclosed
US-8080545-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2011-12-20 US disclosed
US-20100144649-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2010-06-10 US disclosed
US-20100144648-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2010-06-10 US disclosed
US-7691852-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2010-04-06 US disclosed
US-20070293465-A1 Compounds for enzyme inhibition PROTEOLIX, INC. (US) 2007-12-20 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 (4 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-20120088762-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 LDHA 3817/4885SLC6A4 4815/4885CYP1A2 1716/4885
US-20070293465-A1 Compounds for enzyme inhibition PSME1, PSMB1, PSME3 LDHA 3817/4885SLC6A4 4815/4885CYP1A2 1716/4885
US-20100144648-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 LDHA 3817/4885SLC6A4 4815/4885CYP1A2 1716/4885
US-20100144649-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 LDHA 3817/4885SLC6A4 4815/4885CYP1A2 1716/4885

“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.