SCHEMBL6745587

SCHEMBL6745587

O=S(=O)(Cl)c1ccccc1OCc1cccc(-c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.48
CFD P00746 4/20 0.48
TPSB2 P20231 4/20 0.48
F11 P03951 3/20 0.48
PLG P00747 1/20 0.48
PLAU P00749 1/20 0.48
KLKB1 P03952 1/20 0.48
F7 P08709 1/20 0.48
AGXT P21549 1/20 0.47
NR4A2 P43354 1/20 0.47
MRGPRX4 Q96LA9 5/20 0.45
AKR1B1 P15121 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
MITF O75030 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44
NFKB1 P19838 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
SCHEMBL6749805 0.87 MEN1 (0.48) FFAR1AGXTMEN1HPGDKMT2A
SCHEMBL1500952 0.86 MAPT (0.50) NPC1HPGDRAB9ASMN1; SMN2MAPT
SCHEMBL6747699 0.75 F2 (0.49) FFAR1CFDTPSB2F11PLG
SCHEMBL6752182 0.74 AGXT (0.54) FFAR1CFDTPSB2F11PLG
SCHEMBL5679038 0.74 CA1 (0.46) FFAR1NPC1HPGDRAB9A
SCHEMBL7108877 0.73 MAPT (0.53) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL27688885 0.72 PTGER1 (0.47) MRGPRX4FFAR4MAPTMAPK1TDP1
SCHEMBL28334391 0.72 RXRA (0.49) FFAR1AGXTMEN1HPGDKMT2A
SCHEMBL31535739 0.71 FFAR4 (0.43) FFAR1FFAR4MEN1NPC1HPGD
SCHEMBL29469795 0.70 RXRA (0.51) NR4A2MRGPRX4RAB9ASMN1; SMN2MAPT

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 FFAR1 1605/4885CFD 64/4885TPSB2 238/4885
US-20030158252-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors PLG, MMP9, F9 FFAR1 1405/4885CFD 82/4885TPSB2 219/4885
US-20010037039-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors F9, PLG, MMP9 FFAR1 2091/4885CFD 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.