SCHEMBL3462473

SCHEMBL3462473

COc1cc(N)ccc1N(CCCOC(C)(C)C)S(=O)(=O)c1cccc(-c2ccc(F)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ACLY P53396 4/20 0.34
KDM4E B2RXH2 1/20 0.34
APLNR P35414 1/20 0.34
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C18 P33260 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KEAP1 Q14145 3/20 0.32
NFE2L2 Q16236 3/20 0.32
RORC P51449 2/20 0.32
NR1H2 P55055 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL3460999 0.86 LMNA (0.40) GAAMAPTSMN1; SMN2KDM4ECYP2C9
SCHEMBL3461804 0.83 MCHR1 (0.43) MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL3460076 0.70 MCHR1 (0.48) MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL3461070 0.69 KMT2A (0.41) KEAP1NFE2L2RORC
SCHEMBL7804318 0.69 MAP2K4 (0.53) MAPTACLYKDM4EALDH1A1
SCHEMBL11956218 0.69 PIK3CA (0.43) MAPTSMN1; SMN2ACLYKDM4EAPLNR
SCHEMBL3462199 0.68 HSD17B1 (0.43) CYP2C9CYP2C19NR1H2
SCHEMBL3466165 0.67 ACLY (0.58) MAPTACLYKDM4EALDH1A1
SCHEMBL3461784 0.67 HSD17B1 (0.59)
SCHEMBL3462121 0.66 HSD17B1 (0.56) SMN1; SMN2CYP2C9CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 US disclosed
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 US disclosed
US-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORPORATION (FI) 2012-08-02 US disclosed
WO-2010146236-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORP. (FI) 2010-12-23 WO disclosed
WO-2010146236-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES BIOTIE THERAPIES CORP. (FI) 2010-12-23 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-20120196884-A1 UREA SUBSTITUTED SULPHONAMIDE DERIVATIVES ITGA1, ITGB1, ITGA2B GAA 4118/4885MAPT 2831/4885SMN1; SMN2 3298/4885

“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.