SCHEMBL5544971

SCHEMBL5544971

COC(=O)c1ccc2cc(CNC(=O)OC(C)(C)C)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.46
HDAC1 Q13547 2/20 0.46
KDM4A O75164 1/20 0.44
HPN P05981 1/20 0.44
PTPN11 Q06124 1/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.43
GRM2 Q14416 1/20 0.43
DYRK1A Q13627 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
POLB P06746 1/20 0.42
BRD4 O60885 1/20 0.42

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
SCHEMBL6197159 0.96 NAMPT (0.46) NAMPTHDAC1KDM4AHPNALDH1A1
SCHEMBL25176751 0.87 NQO2 (0.47) NAMPTPTPN11ALDH1A1BRD4
SCHEMBL30369597 0.87 NQO2 (0.47) NAMPTPTPN11ALDH1A1BRD4
SCHEMBL1206337 0.86 NAMPT (0.55) NAMPTHDAC1ALDH1A1L3MBTL1
SCHEMBL1163240 0.84 HDAC1 (0.49) NAMPTHDAC1ALDH1A1L3MBTL1HDAC10
SCHEMBL879574 0.84 LOXL2 (0.56) NAMPTKDM4ATSHRBRD4
SCHEMBL4672100 0.82 NQO2 (0.52) NAMPTHDAC1KDM4AL3MBTL1TSHR
SCHEMBL26032300 0.81 MEN1 (0.57) NAMPTHDAC1L3MBTL1HDAC6
SCHEMBL16147241 0.80 HIF1A (0.44) NAMPTHDAC1KDM4AALDH1A1L3MBTL1
SCHEMBL30964980 0.80 NR1H4 (0.48) NAMPTHDAC1KDM4AL3MBTL1TSHR

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 12 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
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
CN-1745071-A Novel ethylenediamine derivative DAIICHI SEIYAKU CO (JP) 2006-03-08 CN 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
CN-1278793-A Sulfonyl derivatives DAIICHI SEIYAKU CO (JP) 2001-01-03 CN 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 NAMPT 4788/4885HDAC1 1314/4885KDM4A 3902/4885
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 NAMPT 4703/4885HDAC1 1069/4885KDM4A 4438/4885
US-20030232808-A1 Sulfonyl derivatives SULT1E1, SULT2A1, SULT1A1 NAMPT 4480/4885HDAC1 637/4885KDM4A 2884/4885

“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.