SCHEMBL3799703

SCHEMBL3799703

O=[N+]([O-])c1ccc(C=C(CO)CO)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.58
APP P05067 1/20 0.50
MAPT P10636 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 1/20 0.48
PTGS2 P35354 3/20 0.47
PTGS1 P23219 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
GRIN2D O15399 2/20 0.45
GRIN3B O60391 2/20 0.45
GRIN1 Q05586 2/20 0.45
GRIN2A Q12879 2/20 0.45
GRIN2B Q13224 2/20 0.45
GRIN2C Q14957 2/20 0.45
GRIN3A Q8TCU5 2/20 0.45
CES1 P23141 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44

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
SCHEMBL16479270 0.83 FBP1 (0.56) FBP1APPMAPTKDM4EALDH1A1
SCHEMBL16380977 0.83 FBP1 (0.45) FBP1APPMAPTKDM4EALDH1A1
SCHEMBL4631989 0.81 FBP1 (0.54) FBP1APPMAPTKDM4EALDH1A1
SCHEMBL28247791 0.81 FBP1 (0.54) FBP1APPMAPTKDM4EALDH1A1
SCHEMBL4631977 0.81 FBP1 (0.54) FBP1APPMAPTKDM4EALDH1A1
SCHEMBL4631972 0.81 FBP1 (0.54) FBP1APPMAPTKDM4EALDH1A1
SCHEMBL4631985 0.81 FBP1 (0.54) FBP1APPMAPTKDM4EALDH1A1
SCHEMBL15434532 0.80 FBP1 (0.53) FBP1APPMAPTKDM4EALDH1A1
SCHEMBL16473939 0.79 FBP1 (0.51) FBP1APPMAPTKDM4EALDH1A1
SCHEMBL439935 0.77 APP (0.64) FBP1APPMAPTALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772268-B2 Bisphosphonamidate prodrugs and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2014-07-08 US disclosed
US-8772268-B2 Bisphosphonamidate prodrugs and uses thereof THE JOHNS HOPKINS UNIVERSITY (US) 2014-07-08 US disclosed
US-20130090311-A1 BISPHOSPHONAMIDATE PRODRUGS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2013-04-11 US disclosed
US-20130090311-A1 BISPHOSPHONAMIDATE PRODRUGS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2013-04-11 US disclosed
WO-2011139791-A2 BISPHOSPHONAMIDATE PRODRUGS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2011-11-10 WO disclosed
US-7705045-B2 compounds comprising a specifier linked to two or more of the same or different leaving groups via a self-eliminating multiple release spacer or spacer system, which compounds upon a single activation step, in particular removal or transformation of the specifier, release two or more leaving groups SYNTARGA, B.V. (NL) 2010-04-27 US disclosed
US-20060116422-A1 Prodrugs built as multiple self-elimination-release spacers SYNTARGA B.V. (NL) 2006-06-01 US disclosed
EP-1560599-A1 PRODRUGS BUILT AS MULTIPLE SELF-ELIMINATION-RELEASE SPACERS Syntarga B.V. (NL) 2005-08-10 EP disclosed
WO-2004043493-A1 PRODRUGS BUILT AS MULTIPLE SELF-ELIMINATION-RELEASE SPACERS SYNTARGA B.V. (NL) 2004-05-27 WO disclosed
EP-0961619-A4 HYDROLYZABLE PRODRUGS FOR DELIVERY OF ANTICANCER DRUGS TO METASTATIC CELLS BRISTOL MYERS SQUIBB CO (US) 2001-09-26 EP disclosed
EP-0961619-A1 HYDROLYZABLE PRODRUGS FOR DELIVERY OF ANTICANCER DRUGS TO METASTATIC CELLS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-12-08 EP disclosed
WO-1998013059-A1 HYDROLYZABLE PRODRUGS FOR DELIVERY OF ANTICANCER DRUGS TO METASTATIC CELLS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-02 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-20060116422-A1 Prodrugs built as multiple self-elimination-release spacers DNPEP, GUSB, APEH FBP1 975/4885APP 493/4885MAPT 4176/4885
US-20130090311-A1 BISPHOSPHONAMIDATE PRODRUGS AND USES THEREOF BPGM, PHPT1, PFKFB2 FBP1 8/4885APP 1957/4885MAPT 4506/4885

“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.