SCHEMBL3523798

SCHEMBL3523798

CC(=O)n1ccc2cc(S(=O)(=O)Cl)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.51
CYP11B1 P15538 3/20 0.47
CYP11B2 P19099 3/20 0.47
IDH1 O75874 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
OXER1 Q8TDS5 1/20 0.37
DRD3 P35462 1/20 0.37
KCNH2 Q12809 1/20 0.37
ATM Q13315 1/20 0.36
HTR6 P50406 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
TUBB1 Q9H4B7 1/20 0.35
PKM P14618 1/20 0.35
PDE7A Q13946 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL31591376 0.82 NOTUM (0.49) NOTUMCYP11B1CYP11B2IDH1KDM4E
SCHEMBL516947 0.77 PKM (0.54) PKMTHRB
SCHEMBL10837082 0.75 NOTUM (0.59) NOTUMCYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL16311211 0.74 AKR1C3 (0.39) ALDH1A1TUBB1HDAC1HDAC6THRB
SCHEMBL12749675 0.73 NOTUM (0.58) NOTUMCYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL31607288 0.73 NOTUM (0.58) NOTUMCYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL795182 0.73 NOTUM (0.58) NOTUMCYP11B1CYP11B2IDH1KDM4E
SCHEMBL853076 0.73 NOTUM (0.58) NOTUMCYP11B1CYP11B2KDM4EALDH1A1
SCHEMBL14896280 0.73 OXER1 (0.40) NOTUMKDM4EALDH1A1TP53HPGD
SCHEMBL5066779 0.72 NOTUM (0.56) NOTUMCYP11B1CYP11B2KDM4EALDH1A1

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 6 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
CN-101248044-B Indole compounds FOURNIER LAB SA 2012-05-30 CN 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
CN-101248044-A Novel indole compounds FOURNIER LAB SA (FR) 2008-08-20 CN 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 NOTUM 192/4885CYP11B1 53/4885CYP11B2 68/4885
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds GPR119, PPARA, PPARG NOTUM 743/4885CYP11B1 85/4885CYP11B2 125/4885

“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.