SCHEMBL6745848

SCHEMBL6745848

CC(=O)C1CNCCN1S(=O)(=O)c1ccccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.43
MMP9 P14780 4/20 0.43
MMP13 P45452 4/20 0.43
MMP3 P08254 1/20 0.43
MMP7 P09237 1/20 0.43
PRKD3 O94806 2/20 0.40
PRKCG P05129 2/20 0.40
PRKCB P05771 2/20 0.40
PRKCA P17252 2/20 0.40
PRKACA P17612 2/20 0.40
PRKACG P22612 2/20 0.40
PRKACB P22694 2/20 0.40
PRKCH P24723 2/20 0.40
PRKCI P41743 2/20 0.40
PRKCE Q02156 2/20 0.40
PRKCQ Q04759 2/20 0.40
PRKCZ Q05513 2/20 0.40
PRKCD Q05655 2/20 0.40
PRKD1 Q15139 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL6745617 0.85 MMP1 (0.43) MMP1MMP9MMP13MMP3MMP7
SCHEMBL6749672 0.82 NPC1 (0.49) SMN1; SMN2KMT2AMEN1HTTALDH1A1
SCHEMBL6752062 0.77 MMP1 (0.42) MMP1MMP9MMP13MMP3MMP7
SCHEMBL6923709 0.74 F2 (0.40) MMP1MMP9MMP13MMP3MMP7
SCHEMBL5062486 0.72 HTT (0.53) MMP9MMP13TSHRHSD17B10HTT
SCHEMBL4404075 0.72 MMP1 (0.39) MMP1MMP9MMP13MMP3MMP7
SCHEMBL5635689 0.71 MMP9 (0.52) MMP1MMP9MMP13MMP3MMP7
SCHEMBL14265258 0.71 CASP3 (0.49) MMP9TSHRALDH1A1
SCHEMBL10037158 0.70 USP2 (0.51) PRKD3PRKCGPRKCBPRKCAPRKACA
SCHEMBL28257109 0.68 PRKACA (0.54) PRKD3PRKCGPRKCBPRKCAPRKACA

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 MMP1 32/4885MMP9 3/4885MMP13 73/4885
US-20030158252-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors PLG, MMP9, F9 MMP1 22/4885MMP9 2/4885MMP13 52/4885
US-20010037039-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors F9, PLG, MMP9 MMP1 21/4885MMP9 3/4885MMP13 63/4885

“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.