SCHEMBL699240

SCHEMBL699240

CCCCCCCCCCCCOC(=O)c1nccnc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
TSHR P16473 3/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 3/20 0.49
ATM Q13315 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 1/20 0.49
TP53 P04637 2/20 0.49
CYP3A4 P08684 1/20 0.49
MAPK1 P28482 1/20 0.49
ESR1 P03372 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
AKR1C1 Q04828 1/20 0.48
PLA2G2A P14555 1/20 0.46
KDM4E B2RXH2 1/20 0.46
KDM4A O75164 1/20 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
SCHEMBL11230500 0.82 LMNA (0.56) LMNATSHRALDH1A1MAPTATM
SCHEMBL11234134 0.82 LMNA (0.56) LMNATSHRALDH1A1MAPTATM
SCHEMBL11232238 0.82 LMNA (0.56) LMNATSHRALDH1A1MAPTATM
SCHEMBL11228075 0.82 LMNA (0.56) LMNATSHRALDH1A1MAPTATM
SCHEMBL13133331 0.81 ALDH1A1 (0.64) LMNATSHRALDH1A1MAPTL3MBTL1
SCHEMBL13133330 0.81 ALDH1A1 (0.64) LMNATSHRALDH1A1MAPTL3MBTL1
SCHEMBL11237197 0.81 LMNA (0.55) LMNATSHRALDH1A1MAPTATM
SCHEMBL14398367 0.80 KDM4E (0.60) TSHRALDH1A1MAPTL3MBTL1TP53
SCHEMBL6929389 0.79 LMNA (0.45) LMNATSHRALDH1A1MAPTATM
SCHEMBL9440298 0.78 LMNA (0.57) LMNATSHRALDH1A1MAPTATM

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 4 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 disclosed
CN-102428093-A Prodrugs based on gemcitabine structure as well as synthetic method and application thereof SANLUGEN PHARMATECH LTD 2012-04-25 CN 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

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 LMNA 3633/4885TSHR 4200/4885ALDH1A1 2629/4885

“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.