Sugi Predict

Sugi Predict / Compounds / SCHEMBL3528196

SCHEMBL3528196

SCHEMBL3528196

CCOC(=O)C(C)OCC#Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)OCCN2C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES2 Q9H7Z7 1/20 0.44
▸ HDAC3 O15379 2/20 0.43
▸ HDAC4 P56524 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC7 Q8WUI4 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ HDAC10 Q969S8 2/20 0.43
▸ HDAC11 Q96DB2 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ HDAC9 Q9UKV0 2/20 0.43
▸ HDAC5 Q9UQL6 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ KMT2A Q03164 1/20 0.40
▸ GHSR Q92847 1/20 0.40
▸ SCN9A Q15858 7/20 0.39
▸ SCN5A Q14524 6/20 0.39
▸ PKM P14618 1/20 0.38

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
SCHEMBL3522601 0.89 SCN9A (0.43) PTGES2HDAC3HDAC4HDAC1HDAC7
SCHEMBL3524515 0.89 SMN1; SMN2 (0.48) ALDH1A1HTTRECQLKMT2ASMN1; SMN2
SCHEMBL3523101 0.82 PTGES2 (0.47) PTGES2HDAC3HDAC4HDAC1HDAC7
SCHEMBL3528604 0.80 PTGES2 (0.47) PTGES2HDAC3HDAC4HDAC1HDAC7
SCHEMBL3531315 0.77 SMN1; SMN2 (0.48) ALDH1A1PKMSMN1; SMN2
SCHEMBL3523093 0.76 HTT (0.48) ALDH1A1HTTKMT2APKMTP53
SCHEMBL3524812 0.76 ALDH1A1 (0.46) ALDH1A1HTTKMT2APKMTP53
SCHEMBL3526713 0.76 ALDH1A1 (0.46) ALDH1A1HTTKMT2APKMTP53
SCHEMBL3524909 0.74 MAPT (0.43) ALDH1A1HTTKMT2APKMTP53
SCHEMBL3526731 0.72 PPARG (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2

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 PTGES2 626/4885HDAC3 1790/4885HDAC4 2622/4885
US-20100286137-A1 Method of Treating Conditions Involving PPAR-Receptors with Indole Compounds GPR119, PPARA, PPARG PTGES2 283/4885HDAC3 642/4885HDAC4 1329/4885

“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.