SCHEMBL4665444

SCHEMBL4665444

NS(=O)(=O)Oc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 1.00
CA2 P00918 11/20 0.89
CA9 Q16790 11/20 0.89
CA1 P00915 10/20 0.89
CA4 P22748 1/20 0.51
KMT2A Q03164 1/20 0.50
STS P08842 2/20 0.48

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
SCHEMBL9451383 0.94 CA2 (1.00) KIF11CA2CA9CA1KMT2A
SCHEMBL4043267 0.92 CA2 (0.96) KIF11CA2CA9CA1KMT2A
SCHEMBL26549580 0.83 KIF11 (0.71) KIF11CA2CA9CA1
SCHEMBL28390592 0.80 CA2 (0.73) KIF11CA2CA9CA1KMT2A
SCHEMBL23557819 0.77 PTGS2 (0.72) KIF11CA2CA9CA1STS
SCHEMBL4668665 0.77 STS (0.68) KIF11CA2CA9CA1STS
SCHEMBL6800282 0.77 CA1 (0.67) KIF11CA2CA9CA1KMT2A
SCHEMBL4666147 0.76 CA2 (0.70) KIF11CA2CA9CA1STS
SCHEMBL408478 0.76 CA1 (0.68) KIF11CA2CA9CA1KMT2A
SCHEMBL16140137 0.76 CA2 (0.68) KIF11CA2CA9CA1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1193250-B1 PHENYL SULFAMATE DERIVATIVES TEIKOKU HORMONE MFG CO LTD (JP) 2008-06-04 EP disclosed
US-6762205-B1 STEROID SULFATASE INHIBITORS WITHOUT ESTROGENIC SIDE EFFECT ACTION TEIKOKU HORMONE MFG. CO., LTD. (JP) 2004-07-13 US disclosed
EP-1193250-A1 PHENYL SULFAMATE DERIVATIVES Teikoku Hormone Mfg. Co., Ltd. (JP) 2002-04-03 EP disclosed