SCHEMBL6793495

SCHEMBL6793495

COC(=O)CC1CN(Cc2ccccc2)CCN1S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.55
MMP13 P45452 3/20 0.55
MMP9 P14780 2/20 0.55
MMP3 P08254 1/20 0.55
MMP7 P09237 1/20 0.55
CCR4 P51679 4/20 0.53
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTR7 P34969 1/20 0.46
BCHE P06276 1/20 0.46
ADAM17 P78536 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL6180032 0.84 ALDH1A1 (0.54) MMP1MMP13MMP9MMP3MMP7
SCHEMBL8159911 0.81 ALDH1A1 (0.50) MMP1MMP13MMP9MMP3MMP7
SCHEMBL6793306 0.78 PKM (0.49) MMP1MMP13MMP9MMP3MMP7
SCHEMBL123695 0.76 SIGMAR1 (0.61) ALDH1A1LMNA
SCHEMBL27007117 0.74 SIGMAR1 (0.48) MMP1MMP13MMP9MMP3MMP7
SCHEMBL6792593 0.73 F10 (0.62) KMT2ALMNA
SCHEMBL5403980 0.73 AKR1C3 (0.39) CCR4ALDH1A1SMN1; SMN2LMNA
SCHEMBL5403975 0.73 AKR1C3 (0.39) CCR4ALDH1A1SMN1; SMN2LMNA
SCHEMBL23630296 0.72 HCRTR1 (0.52) ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL6726017 0.72 NR1H2 (0.51) DRD2DRD4KMT2ABCHE

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730672-B2 PROTEASE INHIBITOR ZENECA LIMITED (GB) 2004-05-04 US disclosed
US-20020119968-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED 2002-08-29 US disclosed
US-6225309-B1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED (GB) 2001-05-01 US disclosed
US-5965559-A STRONG INHIBITORY EFFECT AGAINST THE ACTIVATED COAGULATION PROTEASE KNOWN AS FACTOR XA; PREVENTION OF THE CLEAVAGE OF PROTHROMBIN TO THROMBIN; AMINO-SUBSTITUTED PYRIMIDINES AMIDINE GROUP-FREE ZENECA LIMITED (GB) 1999-10-12 US disclosed
EP-0783500-B1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LTD (GB) 1998-07-22 EP disclosed
EP-0783500-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1997-07-16 EP disclosed
WO-1996010022-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1996-04-04 WO 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 (1 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-20020119968-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents SERPINC1, F2, SULT1E1 MMP1 3592/4885MMP13 2257/4885MMP9 2829/4885

“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.