SCHEMBL6181285

SCHEMBL6181285

O=S(=O)(Nc1cccc2[c]cccc12)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.45
SLC22A12 Q96S37 2/20 0.38
PTGS1 P23219 8/20 0.36
PTGS2 P35354 8/20 0.36
CA1 P00915 2/20 0.36
KEAP1 Q14145 1/20 0.35
PTPN1 P18031 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
SCHEMBL6760625 0.80 KEAP1 (0.57) KEAP1
SCHEMBL2127567 0.76 KEAP1 (0.61) CA2SLC22A12PTGS1PTGS2KEAP1
SCHEMBL3482992 0.73 IDO1 (0.38) KEAP1
SCHEMBL6181471 0.72 CA2 (0.44) CA2SLC22A12PTGS1PTGS2CA1
SCHEMBL250357 0.68 KEAP1 (0.54) SLC22A12PTGS1PTGS2KEAP1
SCHEMBL4153477 0.67 CA2 (0.45) CA2PTGS1PTGS2CA1PTPN1
SCHEMBL1451591 0.67 KMT2A (0.50)
SCHEMBL19042419 0.67 KEAP1 (0.57) CA2CA1KEAP1
SCHEMBL12054691 0.66 CA2 (0.66) CA2PTGS1PTGS2CA1
SCHEMBL1370545 0.66 AXL (0.38)

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
EP-1291345-B1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors WARNER LAMBERT CO (US) 2005-11-30 EP disclosed
US-6924276-B2 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-08-02 US disclosed
US-20040039208-A1 Process for making n-aryl-anthranilic acids and their derivatives CHEN MICHAEL HUAI GU (US) 2004-02-26 US disclosed
EP-1313694-A1 PROCESS FOR MAKING N-ARYL-ANTHRANILIC ACIDS AND THEIR DERIVATIVES WARNER-LAMBERT COMPANY (US) 2003-05-28 EP disclosed
US-20030087924-A1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors SORENSON RODERICK JOSEPH (US) 2003-05-08 US disclosed
EP-1291345-A1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2003-03-12 EP disclosed
WO-2002018319-A1 PROCESS FOR MAKING N-ARYL-ANTHRANILIC ACIDS AND THEIR DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2002-03-07 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 (2 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-20040039208-A1 Process for making n-aryl-anthranilic acids and their derivatives AADAC, AHR, AADAT CA2 1208/4885SLC22A12 1747/4885PTGS1 1935/4885
US-20030087924-A1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP3, MMP9 CA2 24/4885SLC22A12 1015/4885PTGS1 30/4885

“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.