SCHEMBL6746141

SCHEMBL6746141

CCN1CCN(S(=O)(=O)c2[c]cccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.48
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.45
CYP2D6 P10635 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.44
TSHR P16473 2/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
HTR6 P50406 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CHRNA7 P36544 1/20 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
SCHEMBL6745871 0.83 POLB (0.57) KMT2APOLBLMNAALDH1A1MAPT
SCHEMBL6749538 0.83 ALDH1A1 (0.44) KMT2APOLBLMNAALDH1A1CYP2D6
SCHEMBL6750742 0.82 LMNA (0.58) POLBLMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL6749748 0.81 CHRNB2 (0.47) KMT2APOLBLMNAALDH1A1MAPT
SCHEMBL6745789 0.81 TSHR (0.44) KMT2APOLBLMNAALDH1A1SMN1; SMN2
SCHEMBL3982616 0.80 TSHR (0.48) KMT2APOLBLMNAALDH1A1SMN1; SMN2
SCHEMBL6003121 0.80 TSHR (0.53) KMT2ALMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL6747685 0.79 TSHR (0.61) KMT2APOLBLMNAALDH1A1MAPT
SCHEMBL5146481 0.79 TSHR (0.56) KMT2ALMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL14811167 0.78 KMT2A (0.46) KMT2ALMNAALDH1A1TSHRHSD17B10

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
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
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 (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 KMT2A 2709/4885POLB 1975/4885LMNA 1004/4885
US-20030158252-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors PLG, MMP9, F9 KMT2A 2493/4885POLB 2216/4885LMNA 1769/4885
US-20010037039-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors F9, PLG, MMP9 KMT2A 2438/4885POLB 2218/4885LMNA 1787/4885
US-20020022615-A1 Cyclic oxyguanidine protease inhibitors PLG, TFPI, PLAT KMT2A 2908/4885POLB 2393/4885LMNA 3084/4885

“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.