SCHEMBL6749308

SCHEMBL6749308

O=S(=O)(c1[c]cccc1)N1CCC(N2CCCC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.61
GAA P10253 3/20 0.61
L3MBTL3 Q96JM7 5/20 0.51
ALDH1A1 P00352 4/20 0.51
MBTD1 Q05BQ5 3/20 0.51
HPGD P15428 1/20 0.49
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 5/20 0.47
EBP Q15125 1/20 0.47
DHCR7 Q9UBM7 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.44
USP5 P45974 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TP53BP1 Q12888 1/20 0.42
HSD11B1 P28845 1/20 0.42

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
SCHEMBL6749559 0.99 KDM4E (0.63) KDM4EGAAL3MBTL3ALDH1A1MBTD1
SCHEMBL6003121 0.85 TSHR (0.53) KDM4EGAAALDH1A1HPGDCYP2C19
SCHEMBL5146481 0.83 TSHR (0.56) KDM4EGAAALDH1A1HPGDCYP2C19
SCHEMBL3982616 0.81 TSHR (0.48) GAAALDH1A1HPGDCYP2C19MEN1
SCHEMBL14811388 0.76 MEN1 (0.58) GAAALDH1A1MEN1KMT2A
SCHEMBL5657049 0.74 L3MBTL1 (0.43) GAAALDH1A1CYP2C19L3MBTL1
SCHEMBL6745871 0.74 POLB (0.57) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL6749538 0.74 ALDH1A1 (0.44) GAAALDH1A1CYP2D6CYP2C19KMT2A
SCHEMBL1855017 0.74 KMT2A (0.51) GAAALDH1A1MEN1KMT2ANPC1
SCHEMBL5438658 0.74 PKM (0.49) KDM4EALDH1A1CYP2D6CYP2C19MEN1

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 11 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-6635637-B2 Cyclic oxyguanidine derivatives useful as enzyme inhibitors, and particularly to a new class of non- peptidic inhibitors of proteolytic enzymes; treats pancreatitis, thrombosis, ischemia, stroke, restenosis, emphysema and inflammation DIMENSIONAL PHARMACEUTICALS, INC. 2003-10-21 US disclosed
US-20030158252-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-08-21 US disclosed
EP-1307432-A1 CYCLIC OXYGUANIDINE PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-05-07 EP 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-20020022615-A1 Cyclic oxyguanidine protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-02-21 US disclosed
WO-2002012207-A1 CYCLIC OXYGUANIDINE PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-02-14 WO disclosed
US-20010037039-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-11-01 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-20040002539-A1 Process for preparing aminoguanidines and alkoxyguanidines as protease inhibitors F9, PLG, MMP9 KDM4E 1568/4885GAA 402/4885L3MBTL3 1673/4885
US-20030158252-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors PLG, MMP9, F9 KDM4E 1353/4885GAA 389/4885L3MBTL3 1740/4885
US-20010037039-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors F9, PLG, MMP9 KDM4E 1260/4885GAA 366/4885L3MBTL3 1822/4885
US-20020022615-A1 Cyclic oxyguanidine protease inhibitors PLG, TFPI, PLAT KDM4E 2255/4885GAA 275/4885L3MBTL3 1185/4885

“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.