SCHEMBL7357935

SCHEMBL7357935

N=C(N)OS(=O)(=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA13 Q8N1Q1 1/20 0.35

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
SCHEMBL27834543 0.77 F2 (0.37) F2PRSS1PRSS2PRSS3CA1
SCHEMBL23905514 0.75 F2 (0.30) F2PRSS1PRSS2PRSS3
SCHEMBL1533954 0.71 F2 (0.36) F2PRSS1PRSS2PRSS3CA1
SCHEMBL8864068 0.70 ALDH1A1 (0.38) CA1CA2CA7CA13
SCHEMBL28646053 0.70 ALDH1A1 (0.38) CA1CA2CA7CA13
SCHEMBL6221242 0.69 KDM4E (0.35)
Lithium SCHEMBL38660848 0.69 ALDH1A1 (0.36) CA1CA2CA7CA13
SCHEMBL6221244 0.67
Trifluoromethanesulfonic Acid SCHEMBL2670016 0.67 CA1 (0.42) F2PRSS1PRSS2PRSS3CA1
SCHEMBL576147 0.67 ALDH1A1 (0.35) CA1CA2CA7CA13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020035092-A1 Inhibit binding of alpha-v integrins to their ligands, use in treatment of immune and inflammatory disorders; 3-(4-(2-Aminoethyl)benzamide)-3-(2-(4-(2-pyridylamino)methyl) phenoxy)-4-pyrimidinyl)propanoic acid CELLTECH THERAPEUTICS LIMITED 2002-03-21 US disclosed
US-6319922-B1 ALPHA-PYRIMIDYL-SUBSTITUTED; USEFUL FOR TREATING DISEASES INCLUDING INFLAMMATORY DISEASES, AND DISEASES INVOLVING ANGIOGENESIS, BONE RESORPTION OR CELLULAR OR MATRIX OVER-EXPANSION. CELLTECH THERAPEUTICS LIMITED (GB) 2001-11-20 US disclosed
EP-1133488-A1 PROPANOIC ACID DERIVATIVES AS INTEGRIN INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2001-09-19 EP disclosed
WO-2000031067-A1 PROPANOIC ACID DERIVATIVES AS INTEGRIN INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 2000-06-02 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-20020035092-A1 Inhibit binding of alpha-v integrins to their ligands, use in treatment of immune and inflammatory disorders; 3-(4-(2-Aminoethyl)benzamide)-3-(2-(4-(2-pyridylamino)methyl) phenoxy)-4-pyrimidinyl)propanoic acid ITGA1, ITGB1, VCAM1 F2 1400/4885PRSS1 2636/4885PRSS2 4167/4885

“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.