SCHEMBL5543033

SCHEMBL5543033

CCOC(=O)CCc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.48
ESR2 Q92731 1/20 0.45
NR1H2 P55055 1/20 0.44
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43
SLC5A1 P13866 1/20 0.41
SLC5A2 P31639 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TMEM97 Q5BJF2 3/20 0.39
SIGMAR1 Q99720 3/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HTR1A P08908 1/20 0.39
CHRM5 P08912 1/20 0.39
SLC6A2 P23975 1/20 0.39
HRH2 P25021 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
SCHEMBL5548036 0.87 ESR2 (0.48) ADORA1ESR2NR1H2BRD4CREBBP
SCHEMBL8556789 0.85 ESR2 (0.50) ADORA1ESR2NR1H2BRD4CREBBP
SCHEMBL12393136 0.84 ESR2 (0.52) ADORA1ESR2NR1H2BRD4CREBBP
SCHEMBL2921637 0.82 ESR2 (0.52) ADORA1ESR2NR1H2BRD4CREBBP
SCHEMBL5548939 0.82 ESR2 (0.47) ADORA1ESR2NR1H2BRD4CREBBP
SCHEMBL1174301 0.81 ADORA1 (0.57) ADORA1ESR2NR1H2BRD4CREBBP
SCHEMBL6198277 0.81 NR1H2 (0.53) ADORA1ESR2NR1H2BRD4CREBBP
SCHEMBL31173367 0.81 ESR2 (0.46) ADORA1ESR2NR1H2KDM4EHDAC6
SCHEMBL7992597 0.80 ESR2 (0.50) ADORA1ESR2NR1H2BRD4CREBBP
SCHEMBL19539155 0.79 ESR2 (0.49) ADORA1ESR2NR1H2BRD4CREBBP

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-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
EP-1031563-B1 SULFONYL DERIVATIVES DAIICHI SEIYAKU CO (JP) 2005-12-28 EP disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
US-20030232808-A1 Sulfonyl derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-12-18 US disclosed
US-6525042-B1 Inhibits an activated coagulation factor FXa; anticoagulant, antithrombotic DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-02-25 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP disclosed
EP-1031563-A1 SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-08-30 EP 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 (3 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S ADORA1 2255/4885ESR2 169/4885NR1H2 1039/4885
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 ADORA1 909/4885ESR2 2616/4885NR1H2 1095/4885
US-20030232808-A1 Sulfonyl derivatives SULT1E1, SULT2A1, SULT1A1 ADORA1 2509/4885ESR2 897/4885NR1H2 73/4885

“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.