SCHEMBL3523112

SCHEMBL3523112

COC(=O)CCCC#Cc1cc(Cl)ccc1NS(=O)(=O)c1cc(C)cc(C)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 3/20 0.42
ACLY P53396 4/20 0.40
METAP2 P50579 1/20 0.39
CCR2 P41597 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
TP53 P04637 1/20 0.37
KMT2A Q03164 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.36
APP P05067 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
SCHEMBL3529261 0.94 CCR9 (0.43) CCR9ACLYMETAP2CCR2MAPT
SCHEMBL3525068 0.87 LMNA (0.51) CCR9MAPTLMNAHTTTP53
SCHEMBL3527145 0.86 CCR2 (0.45) CCR9METAP2CCR2MAPTLMNA
SCHEMBL3520453 0.86 ERBB2 (0.47) CCR9ACLYCCR2MAPTLMNA
SCHEMBL3527669 0.86 LMNA (0.48) CCR9METAP2CCR2MAPTLMNA
SCHEMBL3522957 0.85 FLT1 (0.43) CCR9METAP2CCR2MAPTLMNA
SCHEMBL3527759 0.85 SLC16A3 (0.48) CCR9MAPTLMNAHTTKMT2A
SCHEMBL3528825 0.85 ALDH1A1 (0.56) CCR9CCR2KMT2A
SCHEMBL3525803 0.84 ALDH1A1 (0.48) CCR9METAP2CCR2MAPTLMNA
SCHEMBL3530147 0.83 CYTH2 (0.43) CCR9ACLYMAPTLMNAHTT

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 CCR9 2577/4885ACLY 1409/4885METAP2 2107/4885
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds GPR119, PPARA, PPARG CCR9 2408/4885ACLY 981/4885METAP2 2487/4885

“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.