SCHEMBL3522958

SCHEMBL3522958

COC(=O)CCC#Cc1cc(C(F)(F)F)ccc1NS(=O)(=O)c1ccc2nc(NC(C)=O)sc2c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.52
AKT1 P31749 12/20 0.52
MTOR P42345 11/20 0.52
ACP1 P24666 1/20 0.45
PIK3CA P42336 7/20 0.44
USP2 O75604 1/20 0.43
USP8 P40818 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
PRKDC P78527 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.43
CSNK1D P48730 2/20 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
SCHEMBL3522354 0.89 LMNA (0.46) AKT1MTORHPGDMAPK1
SCHEMBL3521451 0.88 EPHX2 (0.42) DYRK1AAKT1MTORACP1PIK3CA
SCHEMBL3523578 0.88 AKT1 (0.51) DYRK1AAKT1MTORPIK3CAHPGD
SCHEMBL3524710 0.86 AKT1 (0.50) DYRK1AAKT1MTORACP1PIK3CA
SCHEMBL3524989 0.84 AKT1 (0.50) DYRK1AAKT1MTORPIK3CAHPGD
SCHEMBL3525396 0.83 ALDH1A1 (0.44) AKT1MTORPIK3CA
SCHEMBL3520224 0.83 TRPV1 (0.45) DYRK1AUSP2USP8MAPK1
SCHEMBL3524774 0.80 ALDH1A1 (0.41)
SCHEMBL3524894 0.79 ALDH1A1 (0.42) AKT1MTORPIK3CA
SCHEMBL3527568 0.79 TRPV1 (0.43) DYRK1AUSP2USP8MAPK1

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-8436040-B2 Method of treating conditions involving PPAR-receptors with indole compounds LABORATOIRES FOURNIER S.A. (FR) 2013-05-07 US disclosed
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds LABORATORIES FOURNIER S.A. (FR) 2010-11-11 US disclosed
US-7795297-B2 Indole compounds, method of preparing them and uses thereof LABORATORIES FOURNIER S.A. (FR) 2010-09-14 US disclosed
US-20080153816-A1 Indole Compounds, Method of Preparing Them and Uses Thereof LABORATOIRES FOURNIER S.A. (FR) 2008-06-26 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 (2 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-20080153816-A1 Indole Compounds, Method of Preparing Them and Uses Thereof LIPG, GPR119, IAPP DYRK1A 1276/4885AKT1 974/4885MTOR 672/4885
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds GPR119, PPARA, PPARG DYRK1A 1708/4885AKT1 1496/4885MTOR 1509/4885

“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.