SCHEMBL6181471

SCHEMBL6181471

O=S(=O)(Nc1cccc2c[c]ccc12)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.44
KEAP1 Q14145 1/20 0.41
RECQL P46063 1/20 0.39
SLC22A12 Q96S37 2/20 0.37
PTGS1 P23219 4/20 0.36
PTGS2 P35354 4/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA1 P00915 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 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
SCHEMBL2127567 0.81 KEAP1 (0.61) CA2KEAP1RECQLSLC22A12PTGS1
SCHEMBL27622923 0.80 KEAP1 (0.65) KEAP1RECQLALDH1A1KDM4EHPGD
SCHEMBL3483453 0.74 KEAP1 (0.38) KEAP1RECQLALDH1A1KDM4EHPGD
SCHEMBL19042419 0.72 KEAP1 (0.57) CA2KEAP1RECQLALDH1A1KDM4E
SCHEMBL6181285 0.72 CA2 (0.45) CA2KEAP1SLC22A12PTGS1PTGS2
SCHEMBL7437434 0.70 CA2 (0.50) CA2SLC22A12PTGS1PTGS2SMN1; SMN2
SCHEMBL27233531 0.70 SLC22A12 (0.48) CA2RECQLSLC22A12PTGS1PTGS2
SCHEMBL1419244 0.68 CA2 (0.53) CA2PTGS1PTGS2CA1MAPK1
SCHEMBL3483245 0.68 KDM4E (0.51) ALDH1A1KDM4EHPGDMAPK1MEN1
SCHEMBL2536143 0.67 AXL (0.37) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2

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 1208/4885KEAP1 448/4885RECQL 3783/4885
US-20030087924-A1 Diacid-substituted heteroaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP3, MMP9 CA2 24/4885KEAP1 2396/4885RECQL 1061/4885

“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.