SCHEMBL3200407

SCHEMBL3200407

COC(=O)c1ccc(-c2cccc(N)c2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.51
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MCL1 Q07820 1/20 0.48
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
PLAU P00749 1/20 0.45
MAP4K4 O95819 1/20 0.45
SLC2A1 P11166 1/20 0.44
CFTR P13569 1/20 0.44
MKNK1 Q9BUB5 1/20 0.43

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
SCHEMBL6438400 0.88 GAA (0.54) GAAMAPTALDH1A1HPGDMEN1
SCHEMBL1761310 0.86 GAA (0.56) GAAMAPTALDH1A1HPGDMEN1
SCHEMBL2884545 0.85 KDM4E (0.52) GAAMAPTALDH1A1HPGDHSD17B10
SCHEMBL14084580 0.84 EGFR (0.56) GAAMAPTALDH1A1HPGDMEN1
SCHEMBL3133724 0.84 CHEK1 (0.52) GAAMAPTALDH1A1HPGDMEN1
SCHEMBL6438405 0.84 MCL1 (0.61) GAAMAPTALDH1A1HPGDMEN1
SCHEMBL3196624 0.83 HSD17B10 (0.47) GAAMAPTALDH1A1HPGDMEN1
SCHEMBL6889135 0.83 HSD17B1 (0.54) GAAMAPTALDH1A1HPGDMEN1
SCHEMBL72200 0.83 EGFR (0.59) GAAMAPTNPC1RAB9APLAU
SCHEMBL132755 0.82 GAA (0.68) GAAMAPTALDH1A1HPGDHSD17B10

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-20100029609-A1 BIARYL SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20100029609-A1 BIARYL SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20100029609-A1 BIARYL SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2010-02-04 US disclosed
WO-2008028937-A1 N-BIARYL (HETERO) ARYLSULPHONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY LYMPHOCYTES INTERACTIONS NOVARTIS AG (CH) 2008-03-13 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-20100029609-A1 BIARYL SULFONAMIDE DERIVATIVES UGT2B7, CYP3A7, STS GAA 1061/4885MAPT 3961/4885ALDH1A1 1114/4885

“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.