SCHEMBL4445490

SCHEMBL4445490

Bc1cccc(S(=O)(=O)N(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.54
NPC1 O15118 3/20 0.54
TNF P01375 1/20 0.54
NOD1 Q9Y239 1/20 0.54
ALDH1A1 P00352 9/20 0.51
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
LOX P28300 1/20 0.44
MAPT P10636 4/20 0.43
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 2/20 0.42
PMM2 O15305 1/20 0.42
G6PD P11413 1/20 0.42
PKM P14618 1/20 0.42
MPI P34949 1/20 0.42
PHOSPHO1 Q8TCT1 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42

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
SCHEMBL7163455 0.85 RAB9A (0.63) RAB9ANPC1TNFNOD1ALDH1A1
SCHEMBL2595955 0.79 ALDH1A1 (0.63) RAB9ANPC1TNFNOD1ALDH1A1
SCHEMBL8279469 0.79 HSD17B1 (0.52) RAB9ANPC1MAPTLMNASMN1; SMN2
SCHEMBL312769 0.78 RAB9A (0.56) RAB9ANPC1TNFNOD1ALDH1A1
SCHEMBL12459513 0.77 SMN1; SMN2 (0.40) ALDH1A1LOXSMN1; SMN2G6PDHSD17B10
SCHEMBL6620309 0.76 RAB9A (0.54) RAB9ANPC1TNFNOD1ALDH1A1
SCHEMBL4435163 0.76 ALDH1A1 (0.69) RAB9ANPC1TNFNOD1ALDH1A1
SCHEMBL5880397 0.76 CA2 (0.68) RAB9ANPC1TNFNOD1ALDH1A1
SCHEMBL811119 0.76 HTR2A (0.55) RAB9ANPC1TNFNOD1ALDH1A1
SCHEMBL1197192 0.76 RAB9A (0.54) RAB9ANPC1TNFNOD1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021211974-A1 HSD17B13 INHIBITORS AND USES THEREOF INIPHARM, INC. (US) 2021-10-21 WO disclosed
EP-2861597-B1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2017-09-06 EP disclosed
US-9487533-B2 Phosphoinositide 3-kinase inhibitor compounds and methods of use GENENTECH, INC. (US) 2016-11-08 US disclosed
US-9434734-B2 Substituted pyrazoloquinazolinones and pyrroloquinazolinones as allosteric modulators of group II metabotropic glutamate receptors DOMAIN THERAPEUTICS (FR) 2016-09-06 US disclosed
EP-2114950-B1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2016-03-09 EP disclosed
EP-2861597-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS Domain Therapeutics (FR) 2015-04-22 EP disclosed
US-20150105381-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2015-04-16 US disclosed
WO-2013174822-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS DOMAIN THERAPEUTICS (FR) 2013-11-28 WO disclosed
EP-2666775-A1 Substituted pyrazoloquinazolinones and pyrroloquinazolinones as allosteric modulators of group II metabotropic glutamate receptors Domain Therapeutics (FR) 2013-11-27 EP disclosed
EP-2114950-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2009-11-11 EP disclosed
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2008-10-30 US disclosed
WO-2008073785-A2 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2008-06-19 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-20150105381-A1 SUBSTITUTED PYRAZOLOQUINAZOLINONES AND PYRROLOQUINAZOLINONES AS ALLOSTERIC MODULATORS OF GROUP II METABOTROPIC GLUTAMATE RECEPTORS GRM1, GRIN1, GRM2 RAB9A 1629/4885NPC1 3155/4885TNF 3770/4885
US-20080269210-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, AKT3, PI4KA RAB9A 986/4885NPC1 991/4885TNF 4804/4885

“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.