SCHEMBL3525458

SCHEMBL3525458

COC(=O)C(C)(C)OCC#Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.44
CCR9 P51686 7/20 0.39
HSD17B2 P37059 1/20 0.39
ACLY P53396 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL3529397 0.90 LMNA (0.49) CCR9MAPK1ALDH1A1MAPTLMNA
SCHEMBL3527411 0.88 KDM1A (0.40) CCR2CCR9ACLYMAPK1MAPT
SCHEMBL3529238 0.87 ACLY (0.41) CCR9HSD17B2ACLYALDH1A1MAPT
SCHEMBL3525988 0.83 TSHR (0.49) MAPK1ALDH1A1MAPTLMNA
SCHEMBL3524492 0.83 ALDH1A1 (0.43) MAPK1ALDH1A1MAPTLMNA
SCHEMBL3529380 0.81 PKM (0.48) CCR9MAPK1ALDH1A1MAPTLMNA
SCHEMBL3523854 0.81 ALDH1A1 (0.43) CCR9ALDH1A1MAPTLMNA
SCHEMBL3523501 0.81 CCR2 (0.47) CCR2CCR9ACLYMAPK1ALDH1A1
SCHEMBL3528038 0.81 LMNA (0.46) MAPK1ALDH1A1MAPTLMNA
SCHEMBL3527218 0.81 ALDH1A1 (0.43) CCR9MAPK1ALDH1A1MAPTLMNA

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 1853/4885CCR9 2577/4885HSD17B2 227/4885
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds GPR119, PPARA, PPARG CCR2 875/4885CCR9 2408/4885HSD17B2 259/4885

“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.