SCHEMBL3499018

SCHEMBL3499018

CC(C)(C)OC(=O)N1CCc2c(sc(N)c2C(=O)O)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 1.00
KDM4E B2RXH2 5/20 0.69
MAPT P10636 5/20 0.69
ALDH1A1 P00352 3/20 0.60
RAD52 P43351 1/20 0.60
GAA P10253 2/20 0.47
MEN1 O00255 2/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.47
GLA P06280 1/20 0.47
NR1H2 P55055 1/20 0.45
PTGER4 P35408 1/20 0.45
P2RX3 P56373 1/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44
BPTF Q12830 1/20 0.43
MKNK1 Q9BUB5 2/20 0.43

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
SCHEMBL4091052 0.90 ADORA1 (0.82) ADORA1KDM4EMAPTALDH1A1RAD52
SCHEMBL351992 0.90 ADORA1 (0.82) ADORA1KDM4EMAPTALDH1A1RAD52
SCHEMBL13739529 0.88 ADORA1 (0.78) ADORA1KDM4EMAPTALDH1A1RAD52
SCHEMBL27302182 0.87 ADORA1 (0.77) ADORA1KDM4EMAPTALDH1A1RAD52
SCHEMBL4065123 0.86 MAPT (0.81) ADORA1KDM4EMAPTALDH1A1GAA
SCHEMBL13037555 0.86 ADORA1 (0.75) ADORA1KDM4EMAPTGAANR1H2
SCHEMBL938054 0.85 ADORA1 (1.00) ADORA1KDM4EMAPTALDH1A1GAA
SCHEMBL135453 0.83 KDM4E (0.83) ADORA1KDM4EMAPTGAAMEN1
SCHEMBL17018772 0.83 ADORA1 (0.71) ADORA1KDM4EMAPTALDH1A1RAD52
SCHEMBL13739025 0.83 ADORA1 (0.70) ADORA1KDM4EMAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2940000-B1 PROCESS FOR PREPARING METHYL ACETATE DALIAN INST CHEMICAL PHYSICS CAS (CN) 2017-10-18 EP disclosed
US-9440226-B2 Method for preparing methyl acetate DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2016-09-13 US disclosed
EP-2940000-A1 PROCESS FOR PREPARING METHYL ACETATE Dalian Institute Of Chemical Physics, Chinese Academy of Sciences (CN) 2015-11-04 EP disclosed
US-20150298108-A1 METHOD FOR PREPARING METHYL ACETATE DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2015-10-22 US disclosed
WO-2012148889-A1 INHIBITORS OF HUMAN APURINIC/APYRIMIDINIC ENDONUCLEASE 1 THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-11-01 WO disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 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 (2 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-20150298108-A1 METHOD FOR PREPARING METHYL ACETATE EHMT2, EHMT1, DNMT1 ADORA1 848/4885KDM4E 30/4885MAPT 2744/4885
US-20100160255-A1 SPIRO-CYCLIC COMPOUND ACACA, CPT1B, PC ADORA1 3978/4885KDM4E 1730/4885MAPT 4356/4885

“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.