SCHEMBL4287801

SCHEMBL4287801

CS(=O)(=O)C[C@@H]1CCCO1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 2/20 0.40
NR2F2 P24468 1/20 0.40
TSHR P16473 2/20 0.39
SLC12A2 P55011 1/20 0.39
SLC12A5 Q9H2X9 1/20 0.39
POLB P06746 1/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CXCR4 P61073 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL4301170 1.00 PKM (0.41) PKMALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL18665525 1.00 PKM (0.41) PKMALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL30509807 0.94 PKM (0.36) PKMALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL14647288 0.94 PKM (0.36) PKMALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL12840 0.79
SCHEMBL178378 0.79
SCHEMBL170737 0.79
SCHEMBL18665524 0.78 ALDH1A1 (0.40) PKMALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4572957 0.78 ALDH1A1 (0.40) PKMALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL11616844 0.78 SMN1; SMN2 (0.42) PKMALDH1A1SMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822495-B2 Azacyclyl-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-09-02 US disclosed
EP-1987020-B1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI SA (FR) 2012-10-03 EP disclosed
US-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-10-22 US disclosed
EP-1987020-A1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Sanofi-Aventis (FR) 2008-11-05 EP disclosed
WO-2007093364-A1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 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 (1 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-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, MRGPRX1, MRGPRX4 PKM 1287/4885ALDH1A1 1961/4885SMN1; SMN2 3276/4885

“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.