SCHEMBL6743173

SCHEMBL6743173

O=S(=O)(C(Br)(Br)c1ccccc1)C(Br)(Br)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA5A P35218 2/20 0.44
CA9 Q16790 2/20 0.44
TSHR P16473 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KCNN4 O15554 3/20 0.39
HTR6 P50406 1/20 0.39
CYP1A2 P05177 1/20 0.37
NR3C2 P08235 3/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA7 P43166 1/20 0.36
PLA2G7 Q13093 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
SCHEMBL4961090 0.79 CA1 (0.46) CA1CA2CA5ACA9TSHR
SCHEMBL6467896 0.79 CA2 (0.58) CA1CA2CA5ACA9TSHR
SCHEMBL27899372 0.79 NR3C2 (0.42) CA1CA2CA5ACA9TSHR
SCHEMBL10354616 0.77 HTR6 (0.46) CA1CA2CA5ACA9TSHR
SCHEMBL3683762 0.75 PSIP1 (0.43) CA1CA2CA5ACA9ALDH1A1
SCHEMBL8138277 0.74 CA1 (0.46) CA1CA2CA5ACA9TSHR
SCHEMBL752118 0.74 CA1 (0.48) CA1CA2CA5ACA9TSHR
SCHEMBL750528 0.74 MAPK1 (0.44) CA1CA2CA5ACA9TSHR
SCHEMBL778852 0.70 MAPK1 (0.44) CA1CA2CA5ACA9ALDH1A1
SCHEMBL753849 0.70 CA1 (0.43) CA1CA2CA5ACA9TSHR

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
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
EP-1175419-A2 ARYL SULFONYLS AS FACTOR XA INHIBITORS Du Pont Pharmaceuticals Company (US) 2002-01-30 EP disclosed
WO-2000059902-A2 ARYL SULFONYLS AS FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 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-20030050315-A1 Aryl sulfonyls as factor Xa inhibitors F12, F11, TFPI CA1 2249/4885CA2 2573/4885CA5A 3148/4885

“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.