SCHEMBL2901764

SCHEMBL2901764

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
PKM P14618 1/20 0.46
YAP1 P46937 3/20 0.43
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGDS O60760 2/20 0.41
FAAH O00519 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
MERTK Q12866 1/20 0.40
CCR3 P51677 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
ACKR3 P25106 1/20 0.40
TGFBR1 P36897 1/20 0.40
NAMPT P43490 1/20 0.40
CHEK2 O96017 1/20 0.39
MEN1 O00255 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
SCHEMBL2901762 1.00 KDM4E (0.46) KDM4EPKMYAP1KMT2ASMN1; SMN2
SCHEMBL2902476 1.00 KDM4E (0.46) KDM4EPKMYAP1KMT2ASMN1; SMN2
SCHEMBL2905047 0.91 KDM4E (0.48) KDM4EPKMYAP1KMT2AHPGDS
SCHEMBL2905053 0.91 KDM4E (0.48) KDM4EPKMYAP1KMT2AHPGDS
SCHEMBL2905050 0.91 KDM4E (0.48) KDM4EPKMYAP1KMT2AHPGDS
SCHEMBL10154297 0.86 KDM4E (0.50) KDM4EPKMYAP1KMT2AGPR119
SCHEMBL2906679 0.85 KDM4E (0.50) KDM4EPKMYAP1KMT2AHPGDS
SCHEMBL12892124 0.85 HPGDS (0.43) KDM4EPKMKMT2ASMN1; SMN2HPGDS
SCHEMBL8021165 0.83 KMT2A (0.49) KDM4EKMT2ASMN1; SMN2HPGDSCHRNB2
SCHEMBL2906912 0.81 KMT2A (0.50) KDM4EKMT2ASMN1; SMN2HPGDSCHRNB2

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 11 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 claimed
EP-2217569-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID Janssen Pharmaceutica N.V. (BE) 2010-08-18 EP claimed
US-20090124804-A1 Enantioselective process for preparing a substituted alkanoic acid JANSSEN PHARMACEUTICA NV (BE) 2009-05-14 US claimed
WO-2009058314-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-07 WO claimed
EP-2217569-B1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID JANSSEN PHARMACEUTICA NV (BE) 2014-04-16 EP disclosed
US-8680278-B2 Enantioselective process for preparing a substituted alkanoic acid JANSSEN PHARMACEUTICA NV (BE) 2014-03-25 US disclosed
US-8680278-B2 Enantioselective process for preparing a substituted alkanoic acid JANSSEN PHARMACEUTICA NV (BE) 2014-03-25 US disclosed
EP-2217569-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID Janssen Pharmaceutica N.V. (BE) 2010-08-18 EP disclosed
US-20090124804-A1 Enantioselective process for preparing a substituted alkanoic acid JANSSEN PHARMACEUTICA NV (BE) 2009-05-14 US disclosed
US-20090124804-A1 Enantioselective process for preparing a substituted alkanoic acid JANSSEN PHARMACEUTICA NV (BE) 2009-05-14 US disclosed
WO-2009058314-A1 ENANTIOSELECTIVE PROCESS FOR PREPARING A SUBSTITUTED ALKANOIC ACID JANSSEN PHARMACEUTICA, N.V. (BE) 2009-05-07 WO 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 KDM4E 1770/4885PKM 3462/4885YAP1 3210/4885

“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.