SCHEMBL6749458

SCHEMBL6749458

Cc1ccc(OCc2ccccc2)c(OCCCON(C(=N)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 5/20 0.41
PTGER4 P35408 4/20 0.41
PTGER3 P43115 4/20 0.41
PTGER2 P43116 4/20 0.41
MRGPRX4 Q96LA9 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
CYP2C9 P11712 1/20 0.38
MAPT P10636 2/20 0.38
HSP90AA1 P07900 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 2/20 0.35
LRRK2 Q5S007 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
BCHE P06276 1/20 0.35
CNR2 P34972 1/20 0.35

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
SCHEMBL6749687 0.77 CA12 (0.32) CNR2
SCHEMBL6653750 0.76 F2 (0.37) PTGER1L3MBTL1CYP2C9MAPT
SCHEMBL3249068 0.76 SMN1; SMN2 (0.50) L3MBTL1MAPTHTT
SCHEMBL11959262 0.71 BRD4 (0.51) PTGER1PTGER4PTGER3PTGER2MRGPRX4
SCHEMBL6749182 0.71 F2 (0.54)
SCHEMBL6749389 0.70 F2 (0.43)
SCHEMBL13433963 0.68 L3MBTL1 (0.52) PTGER1PTGER4PTGER3PTGER2L3MBTL1
SCHEMBL18715976 0.68 L3MBTL1 (0.52) PTGER1PTGER4PTGER3PTGER2L3MBTL1
SCHEMBL3488737 0.68 L3MBTL1 (0.52) L3MBTL1HTTNPSR1
SCHEMBL7778567 0.68 KDM4E (0.55) L3MBTL1MAPTKDM4EMAPK1BCHE

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 PTGER1 337/4885PTGER4 532/4885PTGER3 796/4885
US-20030158252-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors PLG, MMP9, F9 PTGER1 225/4885PTGER4 424/4885PTGER3 607/4885
US-20010037039-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors F9, PLG, MMP9 PTGER1 306/4885PTGER4 479/4885PTGER3 698/4885

“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.