SCHEMBL3523907

SCHEMBL3523907

COC(=O)CCC#Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.47
CYP1A2 P05177 1/20 0.47
PGR P06401 1/20 0.47
CYP2C19 P33261 1/20 0.45
CCR9 P51686 1/20 0.44

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
SCHEMBL3523698 0.92 ERBB2 (0.50) CCR9
SCHEMBL3521448 0.90 ACLY (0.50) CCR9
SCHEMBL3527490 0.90 LMNA (0.53) CCR9
SCHEMBL3525803 0.90 ALDH1A1 (0.48) CCR9
SCHEMBL3522938 0.88 ALDH1A1 (0.53) CCR9
SCHEMBL3527669 0.87 LMNA (0.48) CYP2C9CCR9
SCHEMBL3526879 0.86 LMNA (0.49) CCR9
SCHEMBL3528317 0.86 SLC16A3 (0.49) PGRCCR9
SCHEMBL3520453 0.85 ERBB2 (0.47) CCR9
SCHEMBL3523501 0.85 CCR2 (0.47) PGRCCR9

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 CYP2C9 420/4885CYP1A2 475/4885PGR 2716/4885
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds GPR119, PPARA, PPARG CYP2C9 1364/4885CYP1A2 961/4885PGR 432/4885

“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.