SCHEMBL3522938

SCHEMBL3522938

COC(=O)CCC#Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SLC16A3 O15427 8/20 0.46
CCR9 P51686 1/20 0.43
MCL1 Q07820 1/20 0.42
BCL2A1 Q16548 1/20 0.42
PLAU P00749 1/20 0.41
CCR2 P41597 1/20 0.41
KAT6A Q92794 1/20 0.41
FBP1 P09467 1/20 0.41
AGTR1 P30556 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
SCHEMBL3528825 0.94 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ASLC16A3CCR9
SCHEMBL3523698 0.89 ERBB2 (0.50) ALDH1A1MEN1KMT2ACCR9CCR2
SCHEMBL3525803 0.89 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ACCR9CCR2
SCHEMBL3523907 0.88 CYP2C9 (0.47) CCR9
SCHEMBL3521448 0.87 ACLY (0.50) ALDH1A1CCR9
SCHEMBL3527490 0.87 LMNA (0.53) ALDH1A1MEN1KMT2ASLC16A3CCR9
SCHEMBL3528317 0.86 SLC16A3 (0.49) ALDH1A1MEN1KMT2ASLC16A3CCR9
SCHEMBL3523501 0.86 CCR2 (0.47) ALDH1A1MEN1KMT2ACCR9CCR2
SCHEMBL3527669 0.86 LMNA (0.48) ALDH1A1KMT2ACCR9CCR2
SCHEMBL3522957 0.85 FLT1 (0.43) ALDH1A1KMT2ACCR9CCR2FBP1

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 ALDH1A1 1607/4885MEN1 2711/4885KMT2A 2305/4885
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds GPR119, PPARA, PPARG ALDH1A1 1453/4885MEN1 4787/4885KMT2A 2990/4885

“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.