SCHEMBL4443159

SCHEMBL4443159

Nc1ccc(-c2cc(F)nc(F)c2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.43
MPL P40238 3/20 0.43
ACHE P22303 3/20 0.38
PIK3CD O00329 1/20 0.37
FFAR4 Q5NUL3 2/20 0.37
CDK2 P24941 1/20 0.37
FLT3 P36888 1/20 0.37
CCNA1 P78396 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NOTUM Q6P988 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
BACE1 P56817 1/20 0.35
AR P10275 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
SCHEMBL29403371 0.84 KIF11 (0.50) KIF11MPLPIK3CDFFAR4MEN1
SCHEMBL349356 0.84 KIF11 (0.50) KIF11MPLPIK3CDFFAR4MEN1
SCHEMBL4447733 0.83 AAK1 (0.50) KIF11MPLPIK3CDAAK1
Hydrochloric Acid SCHEMBL8644024 0.82 KIF11 (0.48) KIF11MPLACHEPIK3CDFFAR4
SCHEMBL5105685 0.79 PIK3CD (0.49) KIF11MPLPIK3CDFFAR4CDK2
SCHEMBL8922815 0.77 KIF11 (0.54) KIF11MPLPIK3CDFFAR4MEN1
SCHEMBL1011734 0.77 KIF11 (0.63) KIF11PIK3CDFFAR4CDK2MEN1
SCHEMBL2924757 0.76 KIF11 (0.53) KIF11MPLPIK3CDAAK1
SCHEMBL4443151 0.76 GPR52 (0.45) KIF11MPLKDM4E
Water SCHEMBL28831861 0.76 KIF11 (0.61) KIF11PIK3CDFFAR4MEN1KMT2A

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-20080167348-A1 NOVEL SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 US claimed
EP-2118062-A1 SULFONAMIDE DERIVATIVES AS CHYMASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-11-18 EP disclosed
WO-2008084004-A1 SULFONAMIDE DERIVATIVES AS CHYMASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-17 WO disclosed
US-20080167348-A1 NOVEL SULFONAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 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-20080167348-A1 NOVEL SULFONAMIDE DERIVATIVES CMA1, ARSA, TPSAB1 KIF11 4436/4885MPL 4398/4885ACHE 545/4885

“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.