SCHEMBL628283

SCHEMBL628283

COC(=O)Nc1nccs1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.62
PKM P14618 2/20 0.58
ALDH1A1 P00352 1/20 0.58
RAB9A P51151 6/20 0.58
NPC1 O15118 5/20 0.58
MAPT P10636 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 5/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
BRD4 O60885 1/20 0.55
PPARG P37231 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
HTT P42858 1/20 0.54
MAPK1 P28482 1/20 0.54
ACP1 P24666 1/20 0.53

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
SCHEMBL8366793 0.82 PKM (0.74) L3MBTL1PKMALDH1A1RAB9ANPC1
SCHEMBL13525912 0.82 L3MBTL1 (0.56) L3MBTL1PKMALDH1A1RAB9ANPC1
SCHEMBL14720 0.82 METAP1 (0.66) L3MBTL1PKMALDH1A1RAB9ANPC1
SCHEMBL28755307 0.81 RAB9A (0.48) L3MBTL1PKMALDH1A1RAB9ANPC1
Acetic Acid Methyl Ester SCHEMBL10387561 0.81 AGER (0.59) L3MBTL1PKMALDH1A1RAB9ANPC1
SCHEMBL208500 0.81 L3MBTL1 (0.55) L3MBTL1PKMALDH1A1RAB9ANPC1
SCHEMBL115951 0.80
SCHEMBL5342550 0.79 RAB9A (0.61) L3MBTL1PKMALDH1A1RAB9ANPC1
SCHEMBL28366436 0.79 L3MBTL1 (0.64) L3MBTL1PKMALDH1A1RAB9ANPC1
Hydrochloric Acid SCHEMBL29059238 0.78 AGER (0.64) L3MBTL1PKMALDH1A1RAB9ANPC1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512602-B1 INHIBITORS OF HEAT SHOCK FACTORS (HSF) AND USES THEREOF HSF PHARMACEUTICALS (CH) 2024-03-27 EP disclosed
US-11597708-B2 Inhibitors of heat shock factors and uses thereof HSF PHARMACEUTICALS SA (CH) 2023-03-07 US disclosed
US-20210221778-A1 Inhibitors of heat shock factors and uses thereof HSF PHARMACEUTICALS SA (CH) 2021-07-22 US disclosed
EP-3512602-A2 INHIBITORS OF HEAT SHOCK FACTORS AND USES THEREOF HSF Pharmaceuticals (CH) 2019-07-24 EP disclosed
WO-2018050656-A2 INHIBITORS OF HEAT SHOCK FACTORS AND USES THEREOF HSF PHARMACEUTICALS (CH) 2018-03-22 WO disclosed
EP-2419417-B1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-03-25 EP disclosed
US-8729063-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2014-05-20 US disclosed
US-8575144-B2 Beta-lactamase inhibitory compounds SOUTHERN METHODIST UNIVERSITY (US) 2013-11-05 US disclosed
US-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2013-05-09 US disclosed
US-8362003-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-01-29 US disclosed
US-7514567-B2 Oxazolidinone nicotinic acetylcholine receptor agonists ASTRAZENECA AB (SE) 2009-04-07 US disclosed
US-20080113983-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-15 US disclosed
US-20080113983-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-15 US disclosed
US-20080113983-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2008-05-15 US disclosed
EP-1831231-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AstraZeneca AB (SE) 2007-09-12 EP disclosed
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors INCYTE HOLDINGS CORPORATION 2006-11-09 US disclosed
US-20060154945-A1 Spiro '1-azabicyclo' 2.2.2! octan-3,5'-oxazolidin - 2'-one! derivatives with affinity to the alpha7 nicotinic acetylcholine receptor ASTRAZENECA AB (SE) 2006-07-13 US disclosed
WO-2006065209-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
EP-1654264-A1 SPIRO [1-AZABICYCLO [2.2.2]OCTANE-3,5'-OXAZOLIDIN-2'-ONE] DERIVATIVES WITH AFFINITY TO THE ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR AstraZeneca AB (SE) 2006-05-10 EP disclosed
WO-2005005435-A1 SPIRO ′1-AZABICYCLO ′2.2.2!OCTAN-3,5′-OXAZOLIDIN -2′-ONE! DERIVATIVES WITH AFFINITY TO THE ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR ASTRAZENECA AB (SE) 2005-01-20 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 (6 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-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CXCR3, CCR5 L3MBTL1 1131/4885PKM 1995/4885ALDH1A1 2447/4885
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors CCR2, CXCR3, CCR5 L3MBTL1 1099/4885PKM 1784/4885ALDH1A1 2501/4885
US-11597708-B2 Inhibitors of heat shock factors and uses thereof HSF1, HSP90AB2P, HSP90AB1 L3MBTL1 1094/4885PKM 3069/4885ALDH1A1 2641/4885
US-20210221778-A1 Inhibitors of heat shock factors and uses thereof HSF1, HSP90AB2P, HSP90AB1 L3MBTL1 1094/4885PKM 3069/4885ALDH1A1 2641/4885
US-20060154945-A1 Spiro '1-azabicyclo' 2.2.2! octan-3,5'-oxazolidin - 2'-one! derivatives with affinity to the alpha7 nicotinic acetylcholine receptor CHRNA1, CHRNA7, ADRA1D L3MBTL1 4718/4885PKM 4418/4885ALDH1A1 213/4885
US-20080113983-A1 Nicotinic Acetylcholine Receptor Ligands CHRNA1, CHRNA2, CHRNB1 L3MBTL1 3891/4885PKM 4756/4885ALDH1A1 577/4885

“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.