SCHEMBL1832087

SCHEMBL1832087

CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
MAPT P10636 1/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CASP3 P42574 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.45
ATM Q13315 1/20 0.45
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
TRPC5 Q9UL62 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 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
SCHEMBL9042362 0.90 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2ACASP3
SCHEMBL9043025 0.87 ALDH1A1 (0.55) ALDH1A1MAPTMEN1KMT2ACASP3
SCHEMBL9041028 0.87 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL11492920 0.86 FKBP1A (0.48) ALDH1A1MEN1KMT2ACASP3CHRM2
SCHEMBL1831080 0.86 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL10750916 0.85 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2ACASP3
SCHEMBL9044139 0.84 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL9042489 0.82 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL9040274 0.82 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL9043612 0.82 POLB (0.46) ALDH1A1KMT2AHPGDTSHR

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108033969-B Oxoindolspirotetrahydrofuran compound and preparation method and application thereof 中国医药集团总公司四川抗菌素工业研究所 2020-04-10 CN claimed
CN-108033969-B Oxoindolspirotetrahydrofuran compound and preparation method and application thereof 中国医药集团总公司四川抗菌素工业研究所 2020-04-10 CN disclosed
EP-2318377-B1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH INC (US) 2013-08-21 EP disclosed
EP-2318377-B1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH INC (US) 2013-08-21 EP disclosed
US-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2012-06-28 US disclosed
US-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2012-06-28 US disclosed
US-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2012-06-28 US disclosed
EP-1888589-B1 PYRROLOPYRIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL MYERS SQUIBB CO (US) 2012-05-09 EP disclosed
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US disclosed
US-8163763-B2 Pyrimidine compounds, compositions and methods of use GENENTECH, INC. (US) 2012-04-24 US disclosed
WO-2010014939-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2010-02-04 WO disclosed
US-7521557-B2 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-21 US disclosed
US-7521557-B2 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-21 US disclosed
EP-1888589-A2 PYRROLOPYRIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS Brystol-Myers Squibb Company (US) 2008-02-20 EP disclosed
WO-2006127287-A2 PYRROLOPYRIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-30 WO disclosed
US-20060264457-A1 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY 2006-11-23 US disclosed
US-20060264457-A1 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY 2006-11-23 US disclosed
EP-0553130-B1 PYRROLIDINE DIONE DERIVATIVES PFIZER (US) 1996-01-03 EP disclosed
EP-0553130-A1 PYRROLIDINE DIONE DERIVATIVES. PFIZER (US) 1993-08-04 EP disclosed
WO-1992006954-A2 PYRROLIDINE DIONE DERIVATIVES PFIZER INC. (US) 1992-04-30 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 (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-20060264457-A1 Pyrrolopyridine-based inhibitors of dipeptidyl peptidase IV and methods DPP4, DPP9, DPP3 ALDH1A1 799/4885MAPT 4195/4885MEN1 4674/4885
US-20120165313-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE MTOR, TYMS, DTYMK ALDH1A1 4303/4885MAPT 349/4885MEN1 3236/4885

“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.