SCHEMBL3523945

SCHEMBL3523945

COC(=O)CCCC#Cc1cc(Cl)ccc1NS(=O)(=O)c1cn(C)cn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.45
FBP1 P09467 1/20 0.43
IRS1 P35568 1/20 0.41
GAB1 Q13480 1/20 0.41
KDM4E B2RXH2 1/20 0.39
BRAF P15056 1/20 0.38
GLO1 Q04760 1/20 0.38
HTR6 P50406 1/20 0.38
CCR9 P51686 2/20 0.38
ACLY P53396 1/20 0.38
MAPT P10636 1/20 0.38
PIK3CG P48736 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3526982 0.81 TSHR (0.44) CCR2CCR9ACLYMAPT
SCHEMBL3523112 0.80 CCR9 (0.42) CCR2CCR9ACLYMAPTKMT2A
SCHEMBL3525068 0.79 LMNA (0.51) CCR9MAPTGAAMEN1KMT2A
SCHEMBL3527145 0.79 CCR2 (0.45) CCR2CCR9MAPTGAAMEN1
SCHEMBL3520453 0.78 ERBB2 (0.47) CCR2KDM4ECCR9ACLYMAPT
SCHEMBL3526360 0.78 PTGES2 (0.48) ACLYMAPT
SCHEMBL3523131 0.78 POLB (0.46) CCR9ACLYMAPTGAAMEN1
SCHEMBL3528151 0.77 KMT2A (0.56) GAAMEN1KMT2AALDH1A1
SCHEMBL3528825 0.77 ALDH1A1 (0.56) CCR2FBP1CCR9MEN1KMT2A
SCHEMBL3527759 0.77 SLC16A3 (0.48) GLO1CCR9MAPTGAAMEN1

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 CCR2 1853/4885FBP1 2033/4885IRS1 37/4885
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds GPR119, PPARA, PPARG CCR2 875/4885FBP1 1947/4885IRS1 46/4885

“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.