Sugi Predict

Sugi Predict / Compounds / SCHEMBL2457167

SCHEMBL2457167

SCHEMBL2457167

O=C(O)c1[nH]c(C(=O)O)c(O)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ GPR35 Q9HC97 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CA3 P07451 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SELL P14151 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SELP P16109 1/20 0.33
▸ FUT4 P22083 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33
▸ DPP4 P27487 1/20 0.33

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
SCHEMBL8847161 0.73 JAK2 (0.37) JAK2THRBGPR35SMN1; SMN2KDM4E
SCHEMBL25391975 0.73 JAK2 (0.59) JAK2THRBALDH1A1LMNA
SCHEMBL31495905 0.71 GPR35 (0.45) JAK2THRBGPR35SMN1; SMN2KDM4E
SCHEMBL6189063 0.70 ALDH1A1 (0.38) THRBGPR35KDM4EALDH1A1HPGD
SCHEMBL2806470 0.67 JAK2 (0.48) JAK2THRBSMN1; SMN2KDM4EALDH1A1
SCHEMBL22783664 0.67 JAK2 (0.61) JAK2THRBSMN1; SMN2KDM4EALDH1A1
SCHEMBL20577753 0.65 CYP2C19 (0.44) JAK2THRBGPR35SMN1; SMN2KDM4E
Bicarbonate SCHEMBL31055609 0.60 CA1 (0.56) SMN1; SMN2KDM4ECA12ALDH1A1CA1
SCHEMBL23164220 0.60 GLRA3 (0.48) SMN1; SMN2KDM4ECA12ALDH1A1CA1
SCHEMBL13586980 0.60 DPP4 (0.46) SMN1; SMN2KDM4ECA12ALDH1A1CA1

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-20140128571-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2014-05-08 — — US disclosed
US-20130165630-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2013-06-27 — — US disclosed
US-20120302780-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2012-11-29 — — US disclosed
US-20110237776-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2011-09-29 — — 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 (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-20120302780-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS CBS, ARSA, SOD1 JAK2 1120/4885THRB 1735/4885GPR35 1258/4885
US-20140128571-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS SOD1, CBS, ABCB7 JAK2 1066/4885THRB 1241/4885GPR35 1825/4885
US-20110237776-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS SOD1, CBS, ABCB7 JAK2 1066/4885THRB 1241/4885GPR35 1825/4885
US-20130165630-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS SOD1, CBS, ABCB7 JAK2 1066/4885THRB 1241/4885GPR35 1825/4885

“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.