SCHEMBL2140946

SCHEMBL2140946

CCCc1cc(C(=O)O)cs1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 4/20 0.72
RAB9A P51151 8/20 0.52
NPC1 O15118 6/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
TP53 P04637 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
MEN1 O00255 2/20 0.52
HPGD P15428 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
GAA P10253 4/20 0.49
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 2/20 0.46
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 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
SCHEMBL11398245 0.89 DAO (0.68) DAORAB9ANPC1SMN1; SMN2TP53
SCHEMBL2913260 0.87 DAO (0.66) DAORAB9ANPC1SMN1; SMN2TP53
SCHEMBL11407858 0.86 DAO (0.64) DAOKMT2AALDH1A1MEN1MAPT
SCHEMBL352306 0.84 DAO (1.00) DAORAB9ANPC1SMN1; SMN2TP53
Methane SCHEMBL28127314 0.82 DAO (0.96) DAORAB9ANPC1SMN1; SMN2TP53
SCHEMBL4171556 0.78 DAO (0.68) DAORAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL30295668 0.77 DAO (0.67) DAORAB9ANPC1SMN1; SMN2TP53
SCHEMBL13614249 0.76 DAO (0.66) DAORAB9ATP53ALDH1A1GAA
SCHEMBL3635029 0.76 DAO (0.66) DAORAB9ASMN1; SMN2TP53KMT2A
SCHEMBL13894452 0.76 DAO (0.66) DAORAB9ATP53GAAUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2244706-B1 GLUCOKINASE ACTIVATORS MERCK PATENT GMBH (DE) 2016-04-06 EP claimed
EP-2244706-A1 GLUCOKINASE ACTIVATORS Merck Patent GmbH (DE) 2010-11-03 EP claimed
WO-2009106203-A1 GLUCOKINASE ACTIVATORS MERCK PATENT GMBH (DE) 2009-09-03 WO claimed
EP-2244706-B1 GLUCOKINASE ACTIVATORS MERCK PATENT GMBH (DE) 2016-04-06 EP disclosed
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 US disclosed
US-20120322788-A1 Compouds PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-12-20 US disclosed
EP-2242759-B1 COMPOUNDS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 US disclosed
US-20100331338-A1 Glucokinase Activators MERCK PATENT GMBH (DE) 2010-12-30 US disclosed
EP-2244706-A1 GLUCOKINASE ACTIVATORS Merck Patent GmbH (DE) 2010-11-03 EP disclosed
EP-2242759-A1 COMPOUNDS AstraZeneca AB (SE) 2010-10-27 EP disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 US disclosed
WO-2009106203-A1 GLUCOKINASE ACTIVATORS MERCK PATENT GMBH (DE) 2009-09-03 WO disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 WO disclosed
US-20090062267-A1 L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ASTRAZENECA AB (SE) 2009-03-05 US disclosed
US-20090062267-A1 L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ASTRAZENECA AB (SE) 2009-03-05 US disclosed
CN-1019490-B METHOD FOR PRODUCING 3-(1H-TETRAZOL-5-YL) THIENO 2,3-DLPYRIMIDIN-4(3H)-ONES MERRELL DOW PHARMA (US) 1992-12-16 CN disclosed
CN-87100912-A 3-(1-H-tetrazolium-5-yl) thieno-[2,3-d] pyrimidines-4 (3H)-ketone 1987-12-23 CN disclosed
US-4282246-A Antidiabetic furancarboxylic and thiphenecarboxylic acids PFIZER INC. (US) 1981-08-04 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 (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-20100331338-A1 Glucokinase Activators GCKR, HK1, GCK DAO 3110/4885RAB9A 2651/4885NPC1 1277/4885
US-20090062267-A1 L-ALANINE DERIVATIVES AS a5beta1 ANTAGONISTS ITGA2B, ITGB1, ITGAL DAO 255/4885RAB9A 1383/4885NPC1 3841/4885
US-20120322788-A1 Compouds PKD1, SBDS, ABCB11 DAO 3340/4885RAB9A 2682/4885NPC1 53/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 DAO 3327/4885RAB9A 1216/4885NPC1 48/4885

“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.