SCHEMBL6791608

SCHEMBL6791608

CCOC(=O)C1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.76
RAB9A P51151 2/20 0.74
ALDH1A1 P00352 5/20 0.72
AKR1C3 P42330 3/20 0.71
SMN1; SMN2 Q16637 3/20 0.70
KMT2A Q03164 1/20 0.68
EIF2AK3 Q9NZJ5 1/20 0.67
NPC1 O15118 1/20 0.66
NR2F2 P24468 1/20 0.66
GAA P10253 1/20 0.65
TP53 P04637 1/20 0.63
TSHR P16473 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62

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
SCHEMBL30292770 0.88 RAB9A (0.83) CYP2C19RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL24071815 0.88 RAB9A (0.83) CYP2C19RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL6079016 0.88 ALDH1A1 (0.72) CYP2C19RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL6792419 0.87 KMT2A (0.88) ALDH1A1SMN1; SMN2KMT2AGAA
SCHEMBL612760 0.87 CYP2C19 (1.00) CYP2C19RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL12215903 0.85 CYP2C19 (0.79) CYP2C19RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL15362323 0.84 ALDH1A1 (1.00) CYP2C19RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL24072673 0.84 RAB9A (0.98) CYP2C19RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL7694604 0.84 ALDH1A1 (0.77) CYP2C19RAB9AALDH1A1SMN1; SMN2KMT2A
SCHEMBL7534615 0.84 ALDH1A1 (1.00) CYP2C19RAB9AALDH1A1SMN1; SMN2KMT2A

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 CYP2C19 711/4885RAB9A 1753/4885ALDH1A1 1423/4885

“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.