SCHEMBL6739736

SCHEMBL6739736

Nc1nccc2c[c]sc12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.39
NOS2 P35228 3/20 0.39
F12 P00748 1/20 0.39
PLAU P00749 1/20 0.39
NCF1 P14598 1/20 0.39
NOS1 P29475 1/20 0.39
BACE1 P56817 1/20 0.39
HRH4 Q9H3N8 1/20 0.33
ROCK1 Q13464 1/20 0.33
HSP90AA1 P07900 1/20 0.31
TLR8 Q9NR97 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL6740145 0.68 NOS3 (0.39) NOS3NOS2F12PLAUNCF1
SCHEMBL6455853 0.67 HSP90AA1 (0.44) NOS3NOS2F12PLAUNCF1
SCHEMBL8267510 0.63 NOS2 (0.41) NOS3NOS2F12PLAUNCF1
SCHEMBL21295691 0.61 KDM4E (0.44) HSP90AA1KDM4EALDH1A1
SCHEMBL6457735 0.60 CYP2A6 (0.49) NOS3NOS2F12PLAUNCF1
SCHEMBL6740386 0.60 TLR8 (0.40) NOS3NOS2F12PLAUNCF1
SCHEMBL1996363 0.60 NOS3 (0.53) NOS3NOS2F12PLAUNCF1
SCHEMBL1384661 0.60 NOS3 (0.53) NOS3NOS2F12PLAUNCF1
SCHEMBL29421593 0.60 NOS3 (0.54) NOS3NOS2F12PLAUNCF1
SCHEMBL29850085 0.60 F12 (0.59) NOS3NOS2F12PLAUNCF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1175419-B1 ARYL SULFONYLS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-05-28 EP claimed
US-20030050315-A1 Aryl sulfonyls as factor Xa inhibitors WEXLER RUTH R (US) 2003-03-13 US claimed
US-6689770-B2 AN INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASE ENZYMES, AS ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-02-10 US disclosed
EP-1175419-B1 ARYL SULFONYLS AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2003-05-28 EP disclosed
US-20030050315-A1 Aryl sulfonyls as factor Xa inhibitors WEXLER RUTH R (US) 2003-03-13 US disclosed
US-6399644-B1 ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY 2002-06-04 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 (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-20030050315-A1 Aryl sulfonyls as factor Xa inhibitors F12, F11, TFPI NOS3 4346/4885NOS2 4618/4885F12 1/4885

“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.