SCHEMBL17899628

SCHEMBL17899628

N#Cc1ccc(S(=O)(=O)N2CC=C(C(=O)NOC3CCCCO3)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
ALB P02768 1/20 0.38
GAA P10253 3/20 0.37
CCR6 P51684 2/20 0.37
ALDH1A1 P00352 8/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
PKM P14618 1/20 0.37
PKLR P30613 1/20 0.37
MAPT P10636 1/20 0.36
GSTP1 P09211 1/20 0.36
GSTM2 P28161 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35

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
SCHEMBL17897332 0.88 EPHX2 (0.41) EPHX2GAAALDH1A1SMN1; SMN2GSTP1
SCHEMBL17899697 0.88 LMNA (0.43) EPHX2GAAALDH1A1PKMMAPT
SCHEMBL17899649 0.88 KMT2A (0.41) EPHX2GAASMN1; SMN2PKMMAPT
SCHEMBL17899639 0.88 PKM (0.43) EPHX2GAAALDH1A1SMN1; SMN2PKM
SCHEMBL17899640 0.87 GAA (0.42) EPHX2GAAALDH1A1SMN1; SMN2GSTP1
SCHEMBL17899694 0.86 PKM (0.48) EPHX2GAAALDH1A1SMN1; SMN2PKM
SCHEMBL17899650 0.86 KMT2A (0.46) EPHX2GAAALDH1A1MAPTKMT2A
SCHEMBL17899643 0.86 GAA (0.43) GAAALDH1A1SMN1; SMN2PKMGSTP1
SCHEMBL17899699 0.86 KMT2A (0.39) EPHX2GAASMN1; SMN2PKMKMT2A
SCHEMBL17899648 0.85 KMT2A (0.48) GAAALDH1A1SMN1; SMN2NPC1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266489-B2 Pyrrolic amide compound and preparation method and application thereof HITGEN LTD (CN) 2019-04-23 US disclosed
EP-3241823-B1 PYRROLE AMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF HITGEN LTD (CN) 2019-04-17 EP disclosed
EP-3241823-A1 PYRROLE AMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF Hitgen Ltd. (CN) 2017-11-08 EP disclosed
US-20170298016-A1 PYRROLIC AMIDE COMPOUND AND PREPARATION METHOD AND APPLICATION THEREOF HITGEN INC. (CN) 2017-10-19 US disclosed
US-20170298016-A1 PYRROLIC AMIDE COMPOUND AND PREPARATION METHOD AND APPLICATION THEREOF HITGEN INC. (CN) 2017-10-19 US disclosed
WO-2016107544-A1 INTERMEDIATE COMPOUND FOR PREPARING PYRROLE AMIDE COMPOUND AND PREPARATION METHOD AND USE THEREOF 成都先导药物开发有限公司 2016-07-07 WO disclosed
WO-2016107227-A1 PYRROLE AMIDE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 成都先导药物开发有限公司 2016-07-07 WO 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-20170298016-A1 PYRROLIC AMIDE COMPOUND AND PREPARATION METHOD AND APPLICATION THEREOF HDAC1, HDAC3, HDAC11 EPHX2 2695/4885ALB 3616/4885GAA 1657/4885
US-10266489-B2 Pyrrolic amide compound and preparation method and application thereof HDAC1, HDAC3, HDAC11 EPHX2 2695/4885ALB 3616/4885GAA 1657/4885

“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.