SCHEMBL6174726

SCHEMBL6174726

Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1I

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 5/20 0.50
FEN1 P39748 5/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA4 P22748 3/20 0.50
CA6 P23280 3/20 0.50
CA12 O43570 2/20 0.50
CA5A P35218 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
CYP2C9 P11712 1/20 0.47
PTGES2 Q9H7Z7 1/20 0.44
TRPV1 Q8NER1 3/20 0.41
F10 P00742 7/20 0.39
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
APP P05067 1/20 0.39
PRSS2 P07478 1/20 0.39

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
SCHEMBL6185772 0.82 ALOX5AP (0.51) ALOX5APFEN1CA1CA2CA4
SCHEMBL6171774 0.81 ALOX5AP (0.64) ALOX5APFEN1CA1CA2CA4
SCHEMBL6171447 0.81 ALOX5AP (0.50) ALOX5APFEN1CA1CA2CA4
SCHEMBL8350056 0.78 CA1 (0.54) ALOX5APFEN1CA1CA2CA4
SCHEMBL6241849 0.77 ALOX5AP (0.50) ALOX5APFEN1CA1CA2CA4
SCHEMBL890792 0.75 CA1 (0.52) ALOX5APFEN1CA1CA2CA4
SCHEMBL30940556 0.75 CA1 (0.52) ALOX5APFEN1CA1CA2CA4
SCHEMBL6613230 0.75 CA1 (0.54) ALOX5APFEN1CA1CA2CA4
SCHEMBL11528600 0.75 CA1 (0.59) ALOX5APFEN1CA1CA2CA9
SCHEMBL23093501 0.73 PTGS2 (0.53) ALOX5APFEN1CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991625-B1 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP BRISTOL MYERS SQUIBB PHARMA CO (US) 2005-06-01 EP disclosed
US-6602895-B2 Inhibitors of factor Xa with a neutral P1 specificity group BRISTOL-MYERS SQUIBB COMPANY 2003-08-05 US disclosed
US-20030092740-A1 Inhibitors of factor Xa with a neutral P1 specificity group GALEMMO ROBERT A (US) 2003-05-15 US disclosed
US-6403620-B1 ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-11 US disclosed
US-5998424-A ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-12-07 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-20030092740-A1 Inhibitors of factor Xa with a neutral P1 specificity group F12, F11, SERPINC1 ALOX5AP 2758/4885FEN1 821/4885CA1 572/4885

“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.