SCHEMBL6747685

SCHEMBL6747685

CCOC(=O)N1CCN(S(=O)(=O)c2[c]cccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.61
GAA P10253 3/20 0.61
CYP2C19 P33261 1/20 0.61
PKM P14618 2/20 0.58
POLB P06746 2/20 0.57
SMN1; SMN2 Q16637 5/20 0.56
LMNA P02545 4/20 0.56
HSD17B10 Q99714 1/20 0.56
ALDH1A1 P00352 5/20 0.56
HTT P42858 2/20 0.56
KDM4E B2RXH2 1/20 0.56
HPGD P15428 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 1/20 0.55
MAPK1 P28482 1/20 0.55
MAPT P10636 2/20 0.54

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
SCHEMBL6745789 0.85 TSHR (0.44) TSHRGAACYP2C19PKMPOLB
SCHEMBL14811167 0.83 KMT2A (0.46) TSHRGAACYP2C19LMNAHSD17B10
SCHEMBL6746141 0.79 KMT2A (0.52) TSHRPOLBSMN1; SMN2LMNAHSD17B10
SCHEMBL6745871 0.77 POLB (0.57) TSHRPKMPOLBSMN1; SMN2LMNA
SCHEMBL6749538 0.77 ALDH1A1 (0.44) TSHRGAACYP2C19POLBSMN1; SMN2
SCHEMBL6749748 0.76 CHRNB2 (0.47) GAAPKMPOLBSMN1; SMN2LMNA
SCHEMBL3982616 0.75 TSHR (0.48) TSHRGAACYP2C19PKMPOLB
SCHEMBL6003121 0.75 TSHR (0.53) TSHRGAACYP2C19SMN1; SMN2LMNA
SCHEMBL18031180 0.74 POLB (0.78) GAAPKMPOLBSMN1; SMN2LMNA
SCHEMBL5146481 0.74 TSHR (0.56) TSHRGAACYP2C19SMN1; SMN2LMNA

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 10 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
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
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 TSHR 579/4885GAA 402/4885CYP2C19 179/4885
US-20030158252-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors PLG, MMP9, F9 TSHR 577/4885GAA 389/4885CYP2C19 204/4885
US-20010037039-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors F9, PLG, MMP9 TSHR 685/4885GAA 366/4885CYP2C19 206/4885
US-20020022615-A1 Cyclic oxyguanidine protease inhibitors PLG, TFPI, PLAT TSHR 818/4885GAA 275/4885CYP2C19 113/4885

“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.