SCHEMBL6137892

SCHEMBL6137892

CN(C)CCN(C)S(=O)(=O)c1cc(-c2nnc(O)o2)c(Nc2ccc(I)cc2)cc1F

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.31
SPHK2 Q9NRA0 1/20 0.31

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
SCHEMBL6138165 0.77 USP2 (0.34)
SCHEMBL6138223 0.75 CHRNA7 (0.35)
SCHEMBL6137915 0.71 IDO1 (0.39)
SCHEMBL6137885 0.71 CA1 (0.42) SPHK2
SCHEMBL6137897 0.70 CA1 (0.41) SPHK2
SCHEMBL6138262 0.70 MAP2K1 (0.38)
SCHEMBL6138117 0.69 MAP2K1 (0.33)
SCHEMBL6138001 0.67 CA1 (0.40) SPHK2
SCHEMBL6137938 0.67 SPHK2 (0.38) SPHK2
SCHEMBL6138146 0.66 CA1 (0.39) SPHK2

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-1144394-B1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER LAMBERT CO (US) 2005-08-24 EP disclosed
US-6545030-B1 Treating proliferative diseases, the sequelae of a stroke or heart failure, xenograft rejection, osteoarthritis, HIV, rheumatoid arthritis, cystic fibrosis, hepatomegaly, shock,cardiomegaly, Alzheimer's disease, diabetes WARNER-LAMBERT COMPANY 2003-04-08 US disclosed
US-20030004193-A1 1-Heterocycle substituted diarylamines BARRETT STEPHEN DOUGLAS (US) 2003-01-02 US disclosed
EP-1202732-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-05-08 EP disclosed
EP-1144394-A1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER-LAMBERT COMPANY (US) 2001-10-17 EP disclosed
WO-2001005391-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO disclosed
WO-2000042029-A1 1-HETEROCYCLE SUBSTITUTED DIARYLAMINES WARNER-LAMBERT COMPANY (US) 2000-07-20 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-20030004193-A1 1-Heterocycle substituted diarylamines IDH3A, CCNA1, HCCS HSP90AA1 2841/4885SPHK2 1756/4885

“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.