SCHEMBL2633428

SCHEMBL2633428

CS(=O)(=O)c1cccc(Cl)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 1/20 0.53
TSHR P16473 1/20 0.52
CCR2 P41597 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
PTGES2 Q9H7Z7 3/20 0.46
P2RX7 Q99572 2/20 0.45
AKR1B1 P15121 1/20 0.45
HSD11B1 P28845 1/20 0.45
CCR4 P51679 4/20 0.44
PGR P06401 1/20 0.42
PTGS2 P35354 1/20 0.41

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
SCHEMBL20714714 0.83 CCR2 (0.59) MCOLN3TSHRCCR2KMT2APTGES2
SCHEMBL30720453 0.81 HSD11B1 (0.51) MCOLN3TSHRCCR2LMNAAKR1B1
SCHEMBL1248188 0.81 AKR1B1 (0.56) MCOLN3TSHRLMNAKMT2APTGES2
SCHEMBL395266 0.81 HSD11B1 (0.51) MCOLN3TSHRCCR2LMNAAKR1B1
SCHEMBL28650941 0.80 HSD11B1 (0.40) MCOLN3TSHRCCR2LMNAKMT2A
SCHEMBL2642804 0.80 HSD11B1 (0.44) MCOLN3TSHRCCR2LMNAKMT2A
SCHEMBL3277048 0.80 HSD11B1 (0.50) MCOLN3CCR2HSD11B1CCR4
SCHEMBL7972629 0.79 HTT (0.46) TSHRCCR2LMNAHSD11B1PTGS2
SCHEMBL29519135 0.79 TSHR (0.53) MCOLN3TSHRLMNAKMT2APTGES2
SCHEMBL5607122 0.79 TSHR (0.53) MCOLN3TSHRLMNAKMT2APTGES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718605-B1 PROCESSES FOR THE PREPARATION OF ARYL-AND HETEROARYL-ALKYLSULFONYL HALIDES WYETH CORP (US) 2009-06-17 EP claimed
EP-3453702-A2 PARASITICIDAL COMPOSITIONS COMPRISING BENZIMIDAZOLE DERIVATIVES, METHODS AND USES THEREOF Merial, Inc. (US) 2019-03-13 EP disclosed
WO-2017129944-A1 TRACER AND METHOD JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2017-08-03 WO disclosed
US-9695129-B2 Parasiticidal compositions comprising benzimidazole derivatives, methods and uses thereof MERIAL INC. (US) 2017-07-04 US disclosed
US-9695129-B2 Parasiticidal compositions comprising benzimidazole derivatives, methods and uses thereof MERIAL INC. (US) 2017-07-04 US disclosed
US-20160251317-A1 PARASITICIDAL COMPOSITIONS COMPRISING BENZIMIDAZOLE DERIVATIVES, METHODS AND USES THEREOF MERIAL INC (US) 2016-09-01 US disclosed
US-20160251317-A1 PARASITICIDAL COMPOSITIONS COMPRISING BENZIMIDAZOLE DERIVATIVES, METHODS AND USES THEREOF MERIAL INC (US) 2016-09-01 US disclosed
US-9359305-B2 Parasiticidal compositions comprising benzimidazole derivatives, methods and uses thereof MERIAL, INC. (US) 2016-06-07 US disclosed
US-9359305-B2 Parasiticidal compositions comprising benzimidazole derivatives, methods and uses thereof MERIAL, INC. (US) 2016-06-07 US disclosed
US-9169251-B2 Pyrrolopyridine derivatives and their use as CRTH2 antagonists NOVARTIS AG (CH) 2015-10-27 US disclosed
US-20090029988-A1 Hydroxyalkyl Substituted Imidazoquinolines COLEY PHARMACEUTICAL GROP, INC. (US) 2009-01-29 US disclosed
US-20090029988-A1 Hydroxyalkyl Substituted Imidazoquinolines COLEY PHARMACEUTICAL GROP, INC. (US) 2009-01-29 US disclosed
US-20090030031-A1 Method of Preferentially Inducing the Biosynthesis of Interferon COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-01-29 US disclosed
US-20090030031-A1 Method of Preferentially Inducing the Biosynthesis of Interferon COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-01-29 US disclosed
US-20080312230-A1 Organic Compounds NOVARTIS AG 2008-12-18 US disclosed
US-20080114022-A1 (1-Benzyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-acetic acid; chemoattractant receptor-homologous molecule expressed on helper T-cells antagonist; antiinflammatory agent, antiallergen; obstructive airways disease NOVARTIS AG (CH) 2008-05-15 US disclosed
US-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative MSD K.K. (JP) 2008-02-07 US disclosed
WO-2007068418-A1 USE OF PYRROLO [2 , 3-B] PYRIDINES TO PREPARE A MEDICAMENT FOR TREATING PAIN NOVARTIS AG (CH) 2007-06-21 WO disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
EP-1734040-A1 SUBSTITUTED QUINAZOLINE OR PYRIDOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-12-20 EP 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 (7 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-20080114022-A1 (1-Benzyl-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-acetic acid; chemoattractant receptor-homologous molecule expressed on helper T-cells antagonist; antiinflammatory agent, antiallergen; obstructive airways disease CCR1, CCL2, CCL11 MCOLN3 1156/4885TSHR 949/4885CCR2 6/4885
US-20090030031-A1 Method of Preferentially Inducing the Biosynthesis of Interferon IFNG, IFNAR1, EIF2AK2 MCOLN3 4489/4885TSHR 3404/4885CCR2 658/4885
US-20160251317-A1 PARASITICIDAL COMPOSITIONS COMPRISING BENZIMIDAZOLE DERIVATIVES, METHODS AND USES THEREOF LIPC, CYP3A43, CYP51A1 MCOLN3 963/4885TSHR 4248/4885CCR2 3214/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 MCOLN3 2167/4885TSHR 1602/4885CCR2 574/4885
US-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative GCK, GCKR, PDXK MCOLN3 4156/4885TSHR 2323/4885CCR2 2361/4885
US-20090029988-A1 Hydroxyalkyl Substituted Imidazoquinolines IFNG, IRF3, IFNAR1 MCOLN3 3721/4885TSHR 4108/4885CCR2 133/4885
US-20080312230-A1 Organic Compounds OPRM1, OPRL1, OPRD1 MCOLN3 551/4885TSHR 1448/4885CCR2 1117/4885

“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.