SCHEMBL6752182

SCHEMBL6752182

Ic1ccccc1OCc1cccc(-c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.54
CFD P00746 4/20 0.53
TPSB2 P20231 4/20 0.53
F11 P03951 3/20 0.53
PLG P00747 1/20 0.53
PLAU P00749 1/20 0.53
KLKB1 P03952 1/20 0.53
F7 P08709 1/20 0.53
NR4A2 P43354 1/20 0.49
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MRGPRX4 Q96LA9 2/20 0.47
FFAR1 O14842 4/20 0.47
AKR1B1 P15121 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
PTGER1 P34995 2/20 0.46
PTGER4 P35408 1/20 0.45
PTGER3 P43115 1/20 0.45

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
SCHEMBL6747740 0.84 APP (0.50) AGXTMAPTMAPK1TDP1L3MBTL1
SCHEMBL74678 0.84 MAPT (0.59) MAPTMAPK1TDP1L3MBTL1FFAR1
SCHEMBL15326084 0.75 MRGPRX4 (0.54) AGXTCFDTPSB2F11PLG
SCHEMBL27656865 0.75 FFAR1 (0.49) MAPTMAPK1TDP1L3MBTL1FFAR1
SCHEMBL21408110 0.74 NR4A2 (0.66) AGXTNR4A2MRGPRX4FFAR1AKR1B1
SCHEMBL6745587 0.74 FFAR1 (0.48) AGXTCFDTPSB2F11PLG
SCHEMBL6667626 0.74 AGXT (0.70) AGXTNR4A2MRGPRX4FFAR1AKR1B1
SCHEMBL31580063 0.74 AGXT (0.70) AGXTNR4A2MRGPRX4FFAR1AKR1B1
SCHEMBL13739157 0.74 RXRA (0.59) CFDTPSB2F11PLGPLAU
SCHEMBL23883826 0.72 TDP1 (0.55) MAPTMAPK1TDP1L3MBTL1FFAR1

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-6730783-B2 REACTING AMINOGUANIDINE WITH CARBONYL COMPOUND TO FORM AMIDINOHYDRAZONE; REDUCTION; REACTING WITH ALKOXYAMINE; GUANIDINYLATION; ANTICOAGULANTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-05-04 US disclosed
US-6706765-B2 ESPECIALLY TRYPSIN-LIKE SERINE PROTEASES, SUCH AS CHYMOTRYPSIN, TRYPSIN, THROMBIN, PLASMIN AND FACTOR XA. 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-03-16 US disclosed
US-20040002539-A1 Process for preparing aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-01-01 US disclosed
US-6638931-B1 Aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-10-28 US disclosed
US-20030158252-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-08-21 US disclosed
US-6518310-B2 Non-peptidic; inhibits trypsin-like protease, thrombin and embolus formation; anticoagulant 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-02-11 US disclosed
EP-0944590-B1 AMINOGUANIDINES AND ALKOXYGUANIDINES AS PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-03-20 EP disclosed
US-20010037039-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-11-01 US disclosed
US-6235778-B1 ANTICOAGULANTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-05-22 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-20040002539-A1 Process for preparing aminoguanidines and alkoxyguanidines as protease inhibitors F9, PLG, MMP9 AGXT 302/4885CFD 64/4885TPSB2 238/4885
US-20030158252-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors PLG, MMP9, F9 AGXT 322/4885CFD 82/4885TPSB2 219/4885
US-20010037039-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors F9, PLG, MMP9 AGXT 281/4885CFD 72/4885TPSB2 227/4885

“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.