SCHEMBL5548433

SCHEMBL5548433

COC(=O)c1cccc(O[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
GPR119 Q8TDV5 4/20 0.47
PDE4B Q07343 2/20 0.45
PIK3CD O00329 3/20 0.45
PIK3CA P42336 2/20 0.45
PIK3CB P42338 2/20 0.45
PIK3CG P48736 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 1/20 0.44
EPHX2 P34913 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44

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
SCHEMBL5542864 1.00 USP30 (0.53) USP30MEN1KMT2AGPR119PDE4B
SCHEMBL29826469 0.93 MEN1 (0.55) MEN1KMT2AGPR119PDE4BKDM4E
SCHEMBL2807130 0.93 MEN1 (0.55) MEN1KMT2AGPR119PDE4BKDM4E
SCHEMBL24793303 0.91 USP30 (0.48) USP30MEN1KMT2AGPR119PDE4B
SCHEMBL2980098 0.89 USP30 (0.57) USP30MEN1KMT2AGPR119PDE4B
SCHEMBL5549702 0.89 USP30 (0.57) USP30MEN1KMT2AGPR119PDE4B
SCHEMBL5543111 0.89 USP30 (0.57) USP30MEN1KMT2AGPR119PDE4B
SCHEMBL5548078 0.88 GPR119 (0.55) USP30KMT2AGPR119PDE4BPIK3CD
SCHEMBL28716248 0.88 GPR119 (0.55) USP30KMT2AGPR119PDE4BPIK3CD
SCHEMBL5548878 0.88 GPR119 (0.55) USP30KMT2AGPR119PDE4BPIK3CD

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 11 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
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 USP30 2342/4885MEN1 531/4885KMT2A 3061/4885
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 USP30 3755/4885MEN1 2216/4885KMT2A 923/4885
US-20030232808-A1 Sulfonyl derivatives SULT1E1, SULT2A1, SULT1A1 USP30 3419/4885MEN1 1139/4885KMT2A 479/4885

“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.