SCHEMBL3523698

SCHEMBL3523698

COC(=O)CCC#Cc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.50
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
CCR9 P51686 2/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
CCR2 P41597 1/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
ACLY P53396 1/20 0.44
KCNA5 P22460 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL3521448 0.94 ACLY (0.50) ERBB2HSP90AA1HSP90AB1CCR9LMNA
SCHEMBL3525803 0.94 ALDH1A1 (0.48) CCR9MEN1KMT2AHSD17B10LMNA
SCHEMBL3520453 0.93 ERBB2 (0.47) ERBB2HSP90AA1HSP90AB1CCR9KDM4E
SCHEMBL3523907 0.92 CYP2C9 (0.47) CCR9
SCHEMBL3527669 0.91 LMNA (0.48) CCR9KMT2ALMNAHTTCCR2
SCHEMBL3522957 0.90 FLT1 (0.43) CCR9KMT2ALMNAHTTCCR2
SCHEMBL3526879 0.90 LMNA (0.49) CCR9KDM4EKMT2ALMNAHTT
SCHEMBL3527490 0.90 LMNA (0.53) CCR9MEN1KMT2AHSD17B10LMNA
SCHEMBL3522938 0.89 ALDH1A1 (0.53) CCR9MEN1KMT2ACCR2ALDH1A1
SCHEMBL3528317 0.89 SLC16A3 (0.49) CCR9MEN1KMT2ALMNAHTT

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 ERBB2 1563/4885HSP90AA1 3329/4885HSP90AB1 2682/4885
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds GPR119, PPARA, PPARG ERBB2 627/4885HSP90AA1 1342/4885HSP90AB1 1014/4885

“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.