SCHEMBL311990

SCHEMBL311990

O=C(O)c1cc[nH]c1C(=O)OC(=O)c1[nH]ccc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.40
NAPRT Q6XQN6 2/20 0.39
KDM4E B2RXH2 6/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 6/20 0.36
ALOX15 P16050 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 2/20 0.35
PTPRC P08575 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPRB P23467 1/20 0.33
PTPRE P23469 1/20 0.33
PTPN6 P29350 1/20 0.33
HPGD P15428 3/20 0.32
HSD17B10 Q99714 2/20 0.32
ENPP2 Q13822 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA12 O43570 1/20 0.31

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
SCHEMBL69690 0.84 KEAP1 (0.47) KEAP1NAPRTKDM4EGAAMAPT
SCHEMBL27820698 0.84 CNR2 (0.42) KEAP1NAPRTKDM4EGAAMAPT
SCHEMBL2080349 0.80 KDM4E (0.51) KDM4EGAAMAPTALDH1A1CYP1A2
SCHEMBL30590698 0.79 KEAP1 (0.33) KEAP1NAPRTKDM4EGAAMAPT
SCHEMBL5653478 0.77 KEAP1 (0.41) KEAP1NAPRTKDM4EGAAMAPT
SCHEMBL14837183 0.76 ALDH1A1 (0.61) MAPTALDH1A1KMT2AHPGDTDP1
SCHEMBL27820699 0.73 NR4A2 (0.43) KDM4EGAAMAPTALDH1A1ALOX15
SCHEMBL29042806 0.72 RAB9A (0.41) KEAP1NAPRTKDM4EGAAMAPT
SCHEMBL69393 0.71 NR4A2 (0.44) KDM4EGAAALDH1A1HSD17B10CA12
SCHEMBL13272035 0.69 KMT2A (0.55) KDM4EMAPTALDH1A1KMT2AHPGD

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
US-8653048-B2 Prodrugs based on gemcitabine structure and synthetic methods and applications thereof SANLUGEN PHARMATECH LTD. (CN) 2014-02-18 US claimed
US-20120088908-A1 Prodrugs Based on Gemcitabine Structure and Synthetic Methods and Applications Thereof SANLUGEN PHARMATECH LTD. (CN) 2012-04-12 US claimed
EP-2423215-A1 PRODRUGS BASED ON GEMCITABINE STRUCTURE AS WELL AS SYNTHETIC METHOD AND APPLICATION THEREOF Sanlugen Pharmatech Ltd. (CN) 2012-02-29 EP claimed
US-8653048-B2 Prodrugs based on gemcitabine structure and synthetic methods and applications thereof SANLUGEN PHARMATECH LTD. (CN) 2014-02-18 US disclosed
US-20120088908-A1 Prodrugs Based on Gemcitabine Structure and Synthetic Methods and Applications Thereof SANLUGEN PHARMATECH LTD. (CN) 2012-04-12 US disclosed
EP-2423215-A1 PRODRUGS BASED ON GEMCITABINE STRUCTURE AS WELL AS SYNTHETIC METHOD AND APPLICATION THEREOF Sanlugen Pharmatech Ltd. (CN) 2012-02-29 EP disclosed
US-8093349-B2 Terminally modified polybranched polyimide, metal-plated terminally modified polybranched polyimide, and method for producing the same UBE INDUSTRIES, LTD. (JP) 2012-01-10 US disclosed
US-20100009206-A1 TERMINALLY MODIFIED POLYBRANCHED POLYIMIDE, METAL-PLATED TERMINALLY MODIFIED POLYBRANCHED POLYIMIDE, AND METHOD FOR PRODUCING THE SAME UBE INDUSTRIES, LTD. (JP) 2010-01-14 US disclosed
US-5770340-A USING ELECTROGRAPHIC PRINTING PLATE HAVING ELECTROCONDUCTIVE SUPPORT WITH PHOTOCONDUCTIVE LAYER CONTAINING INORGANIC PHOTOCONDUCTOR, SPECIFIC SENSITIZING DYE AND BINDER, ALSO WITH BACKING HAVING LOW ELECTRICAL RESISTANCE FUJI PHOTO FILM CO., LTD. (JP) 1998-06-23 US disclosed
US-5677098-A USING CYANINE DYE FUJI PHOTO FILM CO., LTD. (JP) 1997-10-14 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 (1 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-20120088908-A1 Prodrugs Based on Gemcitabine Structure and Synthetic Methods and Applications Thereof TYMP, DCTD, GLS2 KEAP1 4836/4885NAPRT 671/4885KDM4E 2472/4885

“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.