SCHEMBL6152939

SCHEMBL6152939

CC(C)(C)OC(=O)N1CCC(CNC(=O)O)CC1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.68
PKM P14618 1/20 0.68
EPHX1 P07099 1/20 0.50
TGFBR1 P36897 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 1/20 0.49
FPR3 P25089 1/20 0.47
FPR2 P25090 1/20 0.47
BRD4 O60885 1/20 0.47
GNRHR P30968 1/20 0.47
GPR119 Q8TDV5 2/20 0.47
RECQL P46063 1/20 0.47
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL3755272 0.91 KDM4E (0.58) KDM4EPKMEPHX1TGFBR1SMN1; SMN2
SCHEMBL1624331 0.91 KDM4E (0.58) KDM4EPKMEPHX1TGFBR1SMN1; SMN2
SCHEMBL1624328 0.91 KDM4E (0.58) KDM4EPKMEPHX1TGFBR1SMN1; SMN2
SCHEMBL1245476 0.88 KDM4E (0.64) KDM4EPKMEPHX1TGFBR1SMN1; SMN2
SCHEMBL24853346 0.88 KDM4E (0.64) KDM4EPKMEPHX1TGFBR1SMN1; SMN2
SCHEMBL5573225 0.87 KDM4E (0.63) KDM4EPKMEPHX1TGFBR1SMN1; SMN2
SCHEMBL3632843 0.87 KDM4E (0.63) KDM4EPKMEPHX1TGFBR1SMN1; SMN2
SCHEMBL21551436 0.87 KDM4E (0.63) KDM4EPKMEPHX1SMN1; SMN2HPGD
SCHEMBL21551407 0.87 KDM4E (0.63) KDM4EPKMEPHX1TGFBR1SMN1; SMN2
SCHEMBL21551109 0.86 KDM4E (0.59) KDM4EPKMEPHX1TGFBR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549281-A1 W/O EMULSIONS SPRAYED AS AN AEROSOL Beiersdorf AG (DE) 2005-07-06 EP disclosed
US-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity J. Uriach Y Compañia S.A. (ES) 2005-06-30 US disclosed
EP-1495044-A1 HETEROCYCLIC AMIDES WITH ALPHA-4 INTEGRIN ANTAGONIST ACTIVITY J. Uriach y Compania S.A. (ES) 2005-01-12 EP disclosed
WO-2004030641-A1 W/O EMULSIONS SPRAYED AS AN AEROSOL BEIERSDORF AG (DE) 2004-04-15 WO disclosed
WO-2003084984-A1 HETEROCYCLIC AMIDES WITH ALPHA-4 INTEGRIN ANTAGONIST ACTIVITY J. URIACH Y COMPANIA S.A. (ES) 2003-10-16 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-20050143391-A1 Heterocyclic amides with alpha-4 integrin antagonist activity ITGB4, ITGA4, ITGA1 KDM4E 470/4885PKM 3864/4885EPHX1 804/4885

“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.