SCHEMBL10154288

SCHEMBL10154288

COC(=O)C=C(CC1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(N(C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.48
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
TGFBR1 P36897 7/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
YAP1 P46937 2/20 0.41
LIMK2 P53671 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
STS P08842 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
SCHEMBL10154292 0.85 USP30 (0.52) USP30KDM4EPKMTGFBR1MEN1
SCHEMBL10154297 0.81 KDM4E (0.50) KDM4EPKMTGFBR1KMT2AYAP1
SCHEMBL10154230 0.78 KEAP1 (0.46) KDM4EPKMGPR119
SCHEMBL2901764 0.77 KDM4E (0.46) KDM4EPKMTGFBR1MEN1KMT2A
SCHEMBL2902476 0.77 KDM4E (0.46) KDM4EPKMTGFBR1MEN1KMT2A
SCHEMBL2901762 0.77 KDM4E (0.46) KDM4EPKMTGFBR1MEN1KMT2A
SCHEMBL8345468 0.76 CHRM4 (0.35) KDM4EMEN1KMT2A
SCHEMBL8347868 0.75 USP30 (0.44) USP30KDM4EPKMTGFBR1YAP1
SCHEMBL13074864 0.75 GPR119 (0.47) USP30KDM4EPKMKMT2AYAP1
SCHEMBL8345859 0.75 GPR119 (0.47) USP30KDM4EPKMKMT2AYAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110683-B2 Piperidinyl compounds that selectively bind integrins JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-07 US disclosed
US-8110683-B2 Piperidinyl compounds that selectively bind integrins JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-07 US disclosed
US-20110092528-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS DE CORTE BART 2011-04-21 US disclosed
US-20110092528-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS DE CORTE BART 2011-04-21 US disclosed
US-7879881-B2 1-[[3-[(1,4,5,6-Tetrahydro-2-pyrimidinyl)amino]phenyl]acetyl]-4-piperidinepropanoic acid; new class of selective modulator of beta 3, beta 5 or dual integrin receptors; anticarcinogenic, antiinflammatory, antidiabetic agent JANSSEN PHARMACEUTICA NV (BE) 2011-02-01 US disclosed
US-7879881-B2 1-[[3-[(1,4,5,6-Tetrahydro-2-pyrimidinyl)amino]phenyl]acetyl]-4-piperidinepropanoic acid; new class of selective modulator of beta 3, beta 5 or dual integrin receptors; anticarcinogenic, antiinflammatory, antidiabetic agent JANSSEN PHARMACEUTICA NV (BE) 2011-02-01 US disclosed
EP-1539739-B1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS JANSSEN PHARMACEUTICA NV (BE) 2010-11-24 EP disclosed
US-20080058359-A1 Piperidinyl compounds that selectively bind integrins JANSSEN PHARMACEUTICA, N.V. (BE) 2008-03-06 US disclosed
US-20080058359-A1 Piperidinyl compounds that selectively bind integrins JANSSEN PHARMACEUTICA, N.V. (BE) 2008-03-06 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 (2 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-20080058359-A1 Piperidinyl compounds that selectively bind integrins ITGB3, ITGAV, ITGA2B USP30 3685/4885KDM4E 3297/4885PKM 3959/4885
US-20110092528-A1 PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS ITGB3, ITGAV, ITGA2B USP30 3685/4885KDM4E 3297/4885PKM 3959/4885

“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.