SCHEMBL5212003

SCHEMBL5212003

CCOC(=O)CC(=O)C(OC)OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
MGAM O43451 1/20 0.58
SI P14410 1/20 0.58
MGAM2 Q2M2H8 1/20 0.58
ALDH1A1 P00352 5/20 0.43
TRPA1 O75762 1/20 0.43
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 2/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SOAT1 P35610 1/20 0.36
ELANE P08246 1/20 0.35

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
SCHEMBL138841 0.84 GAA (0.61) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3297298 0.81 MGAM (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL30546479 0.81 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL971753 0.81 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL16320692 0.79 MAPT (0.40) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL22169089 0.79 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL29185376 0.78 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11290245 0.77 DGKA (0.35) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28519835 0.77 GAA (0.64) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL182126 0.77 GAA (0.64) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113735844-A 2-formyl quinoline carboxamide compound and medical application thereof 正大天晴药业集团股份有限公司 2021-12-03 CN disclosed
US-20190201404-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2019-07-04 US disclosed
US-10278972-B2 Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2019-05-07 US disclosed
US-20170216293-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2017-08-03 US disclosed
US-9670227-B2 Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2017-06-06 US disclosed
EP-2886545-B1 New thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2016-06-29 EP disclosed
WO-2015097123-A1 NEW THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2015-07-02 WO disclosed
US-20150175623-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2015-06-25 US disclosed
EP-2886545-A1 New thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2015-06-24 EP disclosed
US-20070287703-A1 Fused Pyrimidones Useful in the Treatment and the Prevention of Cancer ASTRAZENECA AB (SE) 2007-12-13 US disclosed
US-6350762-B1 SELECTIVELY INHIBIT THE ACTION OF N-TYPE CALCIUM CHANNEL; AJINOMOTO CO., INC. (JP) 2002-02-26 US disclosed
US-6350766-B1 PAIN, CNS AJINOMOTO CO., INC. (JP) 2002-02-26 US disclosed
US-6214817-B1 NITROGEN MACROCYCLE COMPLEXES WITH MANGANESE AND IRON MONSANTO COMPANY 2001-04-10 US disclosed
WO-2001019823-A2 SUBSTITUTED PYRIDINO PENTAAZAMACROCYLE COMPLEXES HAVING SUPEROXIDE DISMUTASE ACTIVITY MONSANTO COMPANY (US) 2001-03-22 WO disclosed
EP-1043314-A1 NOVEL DIHYDROPYRIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2000-10-11 EP disclosed
EP-0985667-A1 NOVEL DIHYDROPYRIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2000-03-15 EP disclosed
EP-0183848-B1 POLYAZAHETEROCYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITION Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-09-12 EP disclosed
US-4918074-A CALCIUM ANTAGONISTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-04-17 US disclosed
EP-0183848-A1 POLYAZAHETEROCYCLIC DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITION Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-06-11 EP disclosed
US-4497808-A N-Oxide compounds useful in the treatment of cardiovascular ailments CIBA-GEIGY CORPORATION (US) 1985-02-05 US 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 (5 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-20170216293-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TYMS, TYMP, TPX2 GAA 3943/4885MGAM 4538/4885SI 3527/4885
US-20070287703-A1 Fused Pyrimidones Useful in the Treatment and the Prevention of Cancer DHFR, DPYD, TYMP GAA 286/4885MGAM 3141/4885SI 2299/4885
US-10278972-B2 Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them TYMS, TYMP, TPX2 GAA 3943/4885MGAM 4538/4885SI 3527/4885
US-20190201404-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TYMS, TYMP, TPX2 GAA 3943/4885MGAM 4538/4885SI 3527/4885
US-20150175623-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TYMS, TYMP, TPX2 GAA 3943/4885MGAM 4538/4885SI 3527/4885

“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.