SCHEMBL2818982

SCHEMBL2818982

COC(=O)c1ccc(C#N)c(C(=O)OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.53
ALDH1A1 P00352 5/20 0.53
MAPT P10636 5/20 0.53
HSD17B10 Q99714 3/20 0.53
HPGD P15428 3/20 0.53
GAA P10253 2/20 0.53
GLA P06280 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
ATM Q13315 1/20 0.53
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA12 O43570 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
XDH P47989 1/20 0.49
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46

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
SCHEMBL390026 0.90 ALDH1A1 (0.47) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL9082494 0.90 ALDH1A1 (0.49) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL17664440 0.89 ALDH1A1 (0.45) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL4598114 0.86 KDM4E (0.57) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL8148281 0.86 CA1 (0.52) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL393432 0.85 GSK3B (0.47) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL7014391 0.84 KDM4E (0.54) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL25256914 0.83 CA12 (0.61) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL536163 0.83 S1PR3 (0.51) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL5846153 0.83 GAA (0.51) KDM4EALDH1A1MAPTHPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100304381-A1 FLUORESCENT NUCLEOBASE CONJUGATES HAVING ANIONIC LINKERS Life Technologies Corporation (US) 2010-12-02 US disclosed
US-7687236-B2 Fluorescent nucleobase conjugates having anionic linkers APPLIED BIOSYSTEMS, LLC (US) 2010-03-30 US disclosed
EP-1317464-B1 FLUORESCENT NUCLEOBASE CONJUGATES HAVING ANIONIC LINKERS APPLERA CORP (US) 2009-05-13 EP disclosed
EP-1317464-B1 FLUORESCENT NUCLEOBASE CONJUGATES HAVING ANIONIC LINKERS APPLERA CORP (US) 2009-05-13 EP disclosed
US-20090092986-A1 Fluorescent Nucleobase Conjugates Having Anionic Linkers APPLIED BIOSYSTEMS INC. (US) 2009-04-09 US disclosed
US-20080242666-A1 1-6-Substituted (3R,6R)-3-(2,3-Dihydro-1H-Inden-2-Yl)-2,5-Piperazinedione Derivatives as Oxytocin Receptor Antagonists For the Treatment of Preterm Labour, Dysmenorrhea and Endometriosis GLAXO GROUP LIMITED (GB) 2008-10-02 US disclosed
US-20080242666-A1 1-6-Substituted (3R,6R)-3-(2,3-Dihydro-1H-Inden-2-Yl)-2,5-Piperazinedione Derivatives as Oxytocin Receptor Antagonists For the Treatment of Preterm Labour, Dysmenorrhea and Endometriosis GLAXO GROUP LIMITED (GB) 2008-10-02 US disclosed
US-20080242666-A1 1-6-Substituted (3R,6R)-3-(2,3-Dihydro-1H-Inden-2-Yl)-2,5-Piperazinedione Derivatives as Oxytocin Receptor Antagonists For the Treatment of Preterm Labour, Dysmenorrhea and Endometriosis GLAXO GROUP LIMITED (GB) 2008-10-02 US disclosed
US-7429651-B2 Fluorescent nucleobase conjugates having anionic linkers APPLERA CORPORATION (US) 2008-09-30 US disclosed
US-7429651-B2 Fluorescent nucleobase conjugates having anionic linkers APPLERA CORPORATION (US) 2008-09-30 US disclosed
EP-1831183-A1 1,6-SUBSTITUTED (3R,6R)-3-(2,3-DIHYDRO-1H-INDEN-2-YL)-2,5-PIPERAZINEDIONE DERIVATIVES AS OXYTOCIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PRE-TERM LABOUR, DYSMENORRHEA AND ENDOMETRIOSIS GLAXO GROUP LIMITED (GB) 2007-09-12 EP disclosed
WO-2006067462-A1 1,6 - SUBSTITUTED (3R,6R) -3- (2,3-DIHYDRO-1H-INDEN-2-YL)-2,5-PIPERAZINEDIONE DERIVATIVES AS OXYTOCIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PRE-TERM LABOUR, DYSMENORRHEA AND ENDOMETRIOSIS GLAXO GROUP LIMITED (GB) 2006-06-29 WO disclosed
WO-2006067462-A1 1,6 - SUBSTITUTED (3R,6R) -3- (2,3-DIHYDRO-1H-INDEN-2-YL)-2,5-PIPERAZINEDIONE DERIVATIVES AS OXYTOCIN RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PRE-TERM LABOUR, DYSMENORRHEA AND ENDOMETRIOSIS GLAXO GROUP LIMITED (GB) 2006-06-29 WO disclosed
US-20050250119-A1 Fluorescent nucleobase conjugates having anionic linkers APPLERA CORPORATION (US) 2005-11-10 US disclosed
US-6811979-B2 NUCLEOTIDE DERIVATIVE FOR USE IN SEQUENCE DETERMINATION OF NUCLEIC ACID MOLECULE APPLERA CORPORATION 2004-11-02 US disclosed
EP-1317464-A2 FLUORESCENT NUCLEOBASE CONJUGATES HAVING ANIONIC LINKERS Applera Corporation (US) 2003-06-11 EP disclosed
US-20020102590-A1 Fluorescent nucleobase conjugates having anionic linkers PE CORPORATION (NY) (US) 2002-08-01 US disclosed
WO-2002030944-A2 FLUORESCENT NUCLEOBASE CONJUGATES HAVING ANIONIC LINKERS APPLERA CORPORATION (US) 2002-04-18 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 (4 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-20080242666-A1 1-6-Substituted (3R,6R)-3-(2,3-Dihydro-1H-Inden-2-Yl)-2,5-Piperazinedione Derivatives as Oxytocin Receptor Antagonists For the Treatment of Preterm Labour, Dysmenorrhea and Endometriosis OXTR, OPRL1, GPER1 KDM4E 2691/4885ALDH1A1 642/4885MAPT 4205/4885
US-20050250119-A1 Fluorescent nucleobase conjugates having anionic linkers DNTT, DUT, NT5C3B KDM4E 1295/4885ALDH1A1 2642/4885MAPT 4071/4885
US-20100304381-A1 FLUORESCENT NUCLEOBASE CONJUGATES HAVING ANIONIC LINKERS DNTT, DUT, NT5C3B KDM4E 1295/4885ALDH1A1 2642/4885MAPT 4071/4885
US-20020102590-A1 Fluorescent nucleobase conjugates having anionic linkers DNTT, DUT, NT5C3B KDM4E 1295/4885ALDH1A1 2642/4885MAPT 4071/4885

“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.