SCHEMBL6676440

SCHEMBL6676440

CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)c1ccc(N)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
KDM4E B2RXH2 4/20 0.42
TDP1 Q9NUW8 4/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 5/20 0.41
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 3/20 0.41
ESR2 Q92731 1/20 0.41
PTPN1 P18031 1/20 0.41
KDR P35968 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
SLC6A2 P23975 1/20 0.37
PDE4A P27815 1/20 0.37
ADRA1A P35348 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6649744 0.80 MAPT (0.38) GAATDP1POLBMAPTCYP3A4
SCHEMBL1186570 0.73 GAA (0.67) GAAKDM4ETDP1POLBMAPT
SCHEMBL24414259 0.73 MIF (0.47) GAAMAPTSMN1; SMN2KMT2AMIF
SCHEMBL17560570 0.71 CYP17A1 (0.35) GAAPOLBMAPTALDH1A1KDR
SCHEMBL17560571 0.71 CYP17A1 (0.35) GAAPOLBMAPTALDH1A1KDR
SCHEMBL17570187 0.71 CYP17A1 (0.35) GAAPOLBMAPTALDH1A1KDR
SCHEMBL29803908 0.70 MAP4K4 (0.40) GAAKDM4ETDP1POLBMAPT
SCHEMBL24669405 0.70 NR1H2 (0.54) ESR2HDAC6NR1H2
SCHEMBL13606210 0.70 HDAC1 (0.43) GAAKDM4ETDP1ALDH1A1CYP3A4
SCHEMBL7985945 0.69 MAPT (0.35) GAAKDM4EMAPTSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1482940-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2004-12-08 EP disclosed
US-20040082585-A1 Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-04-29 US disclosed
WO-2003028729-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 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-20040082585-A1 Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade TFPI, F2, PLG GAA 1146/4885KDM4E 2769/4885TDP1 809/4885

“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.