SCHEMBL3525988

SCHEMBL3525988

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.49
KDM4E B2RXH2 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 9/20 0.45
LMNA P02545 5/20 0.45
MAPK1 P28482 2/20 0.45
MAPT P10636 6/20 0.45
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 1/20 0.42
RECQL P46063 1/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 3/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
PKM P14618 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL3524492 0.95 ALDH1A1 (0.43) TSHRKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL3529380 0.91 PKM (0.48) TSHRKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL3523884 0.88 MAPT (0.48) TSHRKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL3523101 0.88 PTGES2 (0.47) TSHRKDM4ESMN1; SMN2ALDH1A1KMT2A
SCHEMBL3529397 0.84 LMNA (0.49) ALDH1A1LMNAMAPK1MAPTKMT2A
SCHEMBL3528134 0.83 MAPT (0.42) TSHRKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL3525458 0.83 CCR2 (0.44) ALDH1A1LMNAMAPK1MAPT
SCHEMBL3529238 0.83 ACLY (0.41) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL3522927 0.81 KDM4E (0.50) TSHRKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL3524515 0.80 SMN1; SMN2 (0.48) TSHRKDM4ESMN1; SMN2ALDH1A1LMNA

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