SCHEMBL3528240

SCHEMBL3528240

COC(=O)CCCC#Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
LMNA P02545 3/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
HPGD P15428 1/20 0.45
MAPT P10636 2/20 0.44
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
CNR1 P21554 1/20 0.43
GPR35 Q9HC97 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
HTT P42858 1/20 0.42
ATM Q13315 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL3525259 0.85 CCR9 (0.51) ALDH1A1GAAKMT2AMEN1LMNA
SCHEMBL3525068 0.83 LMNA (0.51) ALDH1A1GAAKMT2AMEN1LMNA
SCHEMBL3526683 0.83 EPHX2 (0.46) ALDH1A1GAAKMT2ALMNAHPGD
SCHEMBL3527145 0.82 CCR2 (0.45) ALDH1A1GAAKMT2AMEN1LMNA
SCHEMBL3522927 0.82 KDM4E (0.50) ALDH1A1KMT2ALMNAMAPK1HSD17B10
SCHEMBL3525803 0.81 ALDH1A1 (0.48) ALDH1A1GAAKMT2AMEN1LMNA
SCHEMBL3528604 0.81 PTGES2 (0.47) ALDH1A1KMT2AHPGDRECQLHTT
SCHEMBL3523802 0.80 LMNA (0.47) ALDH1A1LMNAMAPK1HPGDMAPT
SCHEMBL3520453 0.80 ERBB2 (0.47) ALDH1A1GAAKMT2AMEN1LMNA
SCHEMBL3523112 0.80 CCR9 (0.42) KMT2ALMNAMAPTHTT

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 1607/4885GAA 772/4885KMT2A 2305/4885
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds GPR119, PPARA, PPARG ALDH1A1 1453/4885GAA 1440/4885KMT2A 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.