SCHEMBL1939729

SCHEMBL1939729

N#Cc1cc(S(=O)(=O)Cl)ccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.51
ACLY P53396 2/20 0.46
SLC22A12 Q96S37 7/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.38
PLA2G7 Q13093 1/20 0.38
TRPV4 Q9HBA0 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
GRM4 Q14833 1/20 0.37
EPAS1 Q99814 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
SCHEMBL15867027 0.86 VCAM1 (0.53) VCAM1ACLYSLC22A12PTGDR2PLA2G7
SCHEMBL1156201 0.85 TRPV4 (0.50) VCAM1SLC22A12TRPV4
SCHEMBL1941288 0.84 EPAS1 (0.41) VCAM1SLC22A12TRPV4MEN1ALDH1A1
SCHEMBL4195364 0.83 EPAS1 (0.51) VCAM1ACLYSLC22A12PTGDR2ALDH1A1
SCHEMBL27860750 0.82 ALDH1A1 (0.37) VCAM1ACLYPTGDR2ALDH1A1
SCHEMBL2392684 0.80 VCAM1 (0.47) VCAM1ACLYSLC22A12PTGDR2ALDH1A1
SCHEMBL25366711 0.79 TSHR (0.41) SLC22A12PTGDR2MEN1ALDH1A1KMT2A
SCHEMBL20870724 0.79 XDH (0.40) TRPV4MEN1ALDH1A1KMT2A
SCHEMBL319459 0.79 ACLY (0.47) ACLYSLC22A12PTGDR2TRPV4GRM4
SCHEMBL320675 0.79 GRM4 (0.38) VCAM1ACLYSLC22A12TRPV4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303552-A1 ARYLSULFONYL DERIVATIVES AND THEIR USE AS MUSCARINIC ACETYLCHOLINE RECEPTOR M5 INHIBITORS VANDERBILT UNIVERSITY 2023-09-28 US disclosed
US-20230303552-A1 ARYLSULFONYL DERIVATIVES AND THEIR USE AS MUSCARINIC ACETYLCHOLINE RECEPTOR M5 INHIBITORS VANDERBILT UNIVERSITY 2023-09-28 US disclosed
WO-2023150526-A1 COMPETITIVE AND NONCOMPETITIVE OCTAHYDROCYCLOPENTA[C]PYRROLE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY (US) 2023-08-10 WO disclosed
WO-2023150526-A1 COMPETITIVE AND NONCOMPETITIVE OCTAHYDROCYCLOPENTA[C]PYRROLE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY (US) 2023-08-10 WO disclosed
US-20200148634-A1 ACLY INHIBITORS AND USES THEREOF Nimbus Artemis, Inc. 2020-05-14 US disclosed
US-9169251-B2 Pyrrolopyridine derivatives and their use as CRTH2 antagonists NOVARTIS AG (CH) 2015-10-27 US disclosed
WO-2014181287-A1 HETEROCYCLYL COMPOUNDS AND USES THEREOF Piramal Enterprises Limited (IN) 2014-11-13 WO disclosed
US-20140309254-A1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS NOVARTIS AG 2014-10-16 US disclosed
US-8791256-B2 Pyrrolopyridine derivatives and their use as CRTH2 antagonists NOVARTIS AG (CH) 2014-07-29 US disclosed
US-8648074-B2 Substituted octahydropyrrolo[1,2-a]pyrazine sulfonamides as calcium channel blockers ABBVIE INC. (US) 2014-02-11 US disclosed
US-20100210610-A1 Organic compounds BALA KAMLESH JAGDIS 2010-08-19 US disclosed
US-20100204225-A1 Organic compounds BALA KAMLESH JAGDIS 2010-08-12 US disclosed
US-7666878-B2 (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) 2010-02-23 US disclosed
US-20080312230-A1 Organic Compounds NOVARTIS AG 2008-12-18 US disclosed
EP-1963317-A1 USE OF PYRROLO [2 , 3-B]PYRIDINES TO PREPARE A MEDICAMENT FOR TREATING PAIN Novartis AG (CH) 2008-09-03 EP 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
EP-1761529-B1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS NOVARTIS AG (CH) 2007-11-14 EP 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
EP-1761529-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS Novartis AG (CH) 2007-03-14 EP disclosed
WO-2005123731-A2 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS NOVARTIS AG (CH) 2005-12-29 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 (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-20140309254-A1 PYRROLOPYRIDINE DERIVATIVES AND THEIR USE AS CRTH2 ANTAGONISTS HRH2, QDPR, AVPR2 VCAM1 4069/4885ACLY 1974/4885SLC22A12 3218/4885
US-20100210610-A1 Organic compounds SLC10A6, SLCO1B3, OPRM1 VCAM1 4112/4885ACLY 1652/4885SLC22A12 1323/4885
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 VCAM1 130/4885ACLY 4782/4885SLC22A12 3038/4885
US-20100204225-A1 Organic compounds SLC10A6, SLCO1B3, OPRM1 VCAM1 4112/4885ACLY 1652/4885SLC22A12 1323/4885
US-20200148634-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG VCAM1 4509/4885ACLY 1/4885SLC22A12 706/4885
US-20230303552-A1 ARYLSULFONYL DERIVATIVES AND THEIR USE AS MUSCARINIC ACETYLCHOLINE RECEPTOR M5 INHIBITORS CHRM5, CHRM1, CHRM2 VCAM1 1462/4885ACLY 2760/4885SLC22A12 4352/4885
US-20080312230-A1 Organic Compounds OPRM1, OPRL1, OPRD1 VCAM1 3868/4885ACLY 1921/4885SLC22A12 2148/4885

“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.