SCHEMBL2295037

SCHEMBL2295037

O=C(O)c1cc(=O)c2c(OCCCCCOc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1.[NaH].[NaH]

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.70
LMNA P02545 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HIF1A Q16665 1/20 0.54
ABCG2 Q9UNQ0 7/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
CSNK2A2 P19784 1/20 0.49
PTGS1 P23219 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A1 P68400 1/20 0.49
CSNK2A3 Q8NEV1 1/20 0.49
SIGMAR1 Q99720 5/20 0.48
ABCB1 P08183 2/20 0.48
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
EDNRA P25101 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL11246892 0.99 GPR35 (0.72) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11247900 0.99 GPR35 (0.72) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11250063 0.99 GPR35 (0.72) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11245442 0.99 GPR35 (0.72) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11253078 0.99 GPR35 (0.72) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11248651 0.97 GPR35 (0.74) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11142080 0.94 GPR35 (0.74) GPR35LMNATDP1MEN1KMT2A
SCHEMBL11244502 0.93 GPR35 (0.76) GPR35LMNATDP1MEN1KMT2A
SCHEMBL9847108 0.92 GPR35 (0.65) GPR35LMNATDP1MEN1KMT2A
SCHEMBL9847173 0.92 GPR35 (0.65) GPR35LMNATDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195924-A1 Methods of Inhibiting the Interaction Between S100P and the Receptor for Advanced Glycation End-Products BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-08-11 US claimed
WO-2010042504-A1 METHODS OF INHIBITING THE INTERACTION BETWEEN S100 AND THE RECEPTOR FOR ADVANCED GLYCATION END-PRODUCTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-04-15 WO claimed
US-20090062319-A1 METHODS OF INHIBITING THE INTERACTION BETWEEN S100 AND THE RECEPTOR FOR ADVANCED GLYCATION END-PRODUCTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2009-03-05 US claimed
US-20080214491-A1 Methods of Inhibiting the Interaction Between S100 and the Receptor for Advanced Glycation End-Products BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2008-09-04 US claimed
US-8252807-B2 Methods of inhibiting the interaction between S100 and the receptor for advanced glycation end-products BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2012-08-28 US disclosed
US-20110195924-A1 Methods of Inhibiting the Interaction Between S100P and the Receptor for Advanced Glycation End-Products BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2011-08-11 US disclosed
WO-2010042504-A1 METHODS OF INHIBITING THE INTERACTION BETWEEN S100 AND THE RECEPTOR FOR ADVANCED GLYCATION END-PRODUCTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-04-15 WO disclosed
US-20090062319-A1 METHODS OF INHIBITING THE INTERACTION BETWEEN S100 AND THE RECEPTOR FOR ADVANCED GLYCATION END-PRODUCTS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2009-03-05 US disclosed
US-20080214491-A1 Methods of Inhibiting the Interaction Between S100 and the Receptor for Advanced Glycation End-Products BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2008-09-04 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 (3 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-20080214491-A1 Methods of Inhibiting the Interaction Between S100 and the Receptor for Advanced Glycation End-Products S100P, S100B, S100A6 GPR35 164/4885LMNA 648/4885TDP1 3985/4885
US-20090062319-A1 METHODS OF INHIBITING THE INTERACTION BETWEEN S100 AND THE RECEPTOR FOR ADVANCED GLYCATION END-PRODUCTS S100P, S100B, S100A6 GPR35 164/4885LMNA 648/4885TDP1 3985/4885
US-20110195924-A1 Methods of Inhibiting the Interaction Between S100P and the Receptor for Advanced Glycation End-Products S100P, S100B, S100A4 GPR35 206/4885LMNA 628/4885TDP1 3219/4885

“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.