SCHEMBL3522927

SCHEMBL3522927

COC(=O)CCCC#Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)OCCO2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
TSHR P16473 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 8/20 0.46
LMNA P02545 4/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 5/20 0.46
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 3/20 0.43
HPGD P15428 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL3523802 0.95 LMNA (0.47) KDM4ETSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL3522237 0.91 PKM (0.49) KDM4ETSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL3526458 0.89 LMNA (0.48) KDM4ETSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL3528604 0.88 PTGES2 (0.47) ALDH1A1KMT2AHPGDRECQL
SCHEMBL3521610 0.85 PKM (0.51) KDM4ETSHRSMN1; SMN2ALDH1A1LMNA
SCHEMBL3525068 0.83 LMNA (0.51) TSHRALDH1A1LMNAMAPK1MAPT
SCHEMBL3528825 0.83 ALDH1A1 (0.56) ALDH1A1KMT2A
SCHEMBL3525207 0.83 PKM (0.45) ALDH1A1LMNAPKMHPGDCYP2C9
SCHEMBL3527145 0.83 CCR2 (0.45) ALDH1A1LMNAMAPK1MAPTKMT2A
SCHEMBL3523112 0.82 CCR9 (0.42) LMNAMAPTKMT2A

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 KDM4E 1332/4885TSHR 1967/4885SMN1; SMN2 2892/4885
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds GPR119, PPARA, PPARG KDM4E 2824/4885TSHR 211/4885SMN1; SMN2 3475/4885

“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.