SCHEMBL13855083

SCHEMBL13855083

CC(=O)CC(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cnc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.49
ITGA2B P08514 3/20 0.49
ITGAV P06756 1/20 0.49
ITGB5 P18084 1/20 0.49
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
FAAH O00519 1/20 0.42
GPR119 Q8TDV5 4/20 0.42
IDO1 P14902 3/20 0.41
YAP1 P46937 2/20 0.40
HPGDS O60760 1/20 0.40
MMP13 P45452 1/20 0.39
MET P08581 1/20 0.39
F2R P25116 1/20 0.39
TGFBR1 P36897 1/20 0.39

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
SCHEMBL8019650 0.93 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB5KDM4E
SCHEMBL8031246 0.93 ITGB3 (0.55) ITGB3ITGA2BITGAVITGB5KDM4E
SCHEMBL8032542 0.91 ITGB3 (0.47) ITGB3ITGA2BITGAVITGB5KDM4E
SCHEMBL8019565 0.91 ITGB3 (0.47) ITGB3ITGA2BITGAVITGB5KDM4E
SCHEMBL8030519 0.87 ITGB3 (0.44) ITGB3ITGA2BITGAVITGB5KDM4E
SCHEMBL8346467 0.83 KDM4E (0.43) ITGB3ITGA2BITGAVITGB5KDM4E
SCHEMBL2448063 0.81 FAAH (0.63) KDM4EPKMFAAHGPR119YAP1
SCHEMBL5766363 0.78 FAAH (0.50) KDM4EPKMFAAHGPR119HPGDS
SCHEMBL8032371 0.78 ITGB3 (0.51) ITGB3ITGA2BITGAVKDM4EPKM
SCHEMBL12892122 0.78 ITGB3 (0.45) ITGB3ITGA2BITGAVITGB5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680278-B2 Enantioselective process for preparing a substituted alkanoic acid JANSSEN PHARMACEUTICA NV (BE) 2014-03-25 US disclosed
US-20090124804-A1 Enantioselective process for preparing a substituted alkanoic acid JANSSEN PHARMACEUTICA NV (BE) 2009-05-14 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-20090124804-A1 Enantioselective process for preparing a substituted alkanoic acid ITGA5, ITGA1, ITGB5 ITGB3 13/4885ITGA2B 6/4885ITGAV 8/4885

“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.