SCHEMBL6482230

SCHEMBL6482230

O=S(=O)(Nc1cccc(CCOCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2F)c1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.44
MGLL Q99685 2/20 0.40
KDM1A O60341 1/20 0.39
AGXT P21549 1/20 0.38
ERAP1 Q9NZ08 1/20 0.37
IDH1 O75874 1/20 0.37
CA2 P00918 1/20 0.37
PFKFB3 Q16875 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
ERBB2 P04626 1/20 0.34
ERBB4 Q15303 1/20 0.34
F10 P00742 1/20 0.34

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
SCHEMBL6474641 0.93 NAAA (0.40) KIF11MGLLKDM1AERAP1IDH1
SCHEMBL6481745 0.93 EPHX2 (0.41) KIF11MGLLKDM1AIDH1CA2
SCHEMBL6481112 0.92 KDM1A (0.41) KIF11MGLLKDM1AAGXTCA2
SCHEMBL6482076 0.89 KDM1A (0.38) KDM1AERAP1CA2CYSLTR2CYSLTR1
SCHEMBL6482513 0.89 CNR1 (0.39) KIF11KDM1ACA2CYSLTR2CYSLTR1
SCHEMBL6482520 0.88 KIF11 (0.46) KIF11MGLLKDM1AAGXTERAP1
SCHEMBL6474335 0.88 KDM1A (0.39) KIF11KDM1AERAP1CA2CYSLTR2
SCHEMBL6474136 0.86 NAAA (0.40) KDM1AERAP1CA2CYSLTR2CYSLTR1
SCHEMBL6483799 0.84 CA2 (0.39) KDM1ACA2CYSLTR2CYSLTR1
SCHEMBL6474838 0.83 SHMT1 (0.37) KDM1ACA2CYSLTR2CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6930131-B2 Aryl substituted 3-ethoxy phenyl trifluoromethane sulfonamides for the treatment of non-insulin dependent diabetes mellitus (NIDDM) WYETH (US) 2005-08-16 US disclosed
US-20030203941-A1 Substituted phenyl compounds for the treatment of non-insulin dependent diabetes mellitus WYETH (US) 2003-10-30 US 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-20030203941-A1 Substituted phenyl compounds for the treatment of non-insulin dependent diabetes mellitus GPR119, INSR, SLC5A1 KIF11 3900/4885MGLL 2631/4885KDM1A 1124/4885

“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.