SCHEMBL1940002

SCHEMBL1940002

CS(=O)(=O)c1ccc(CBr)cc1F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
GPR119 Q8TDV5 5/20 0.38
KCNH2 Q12809 1/20 0.38
CHRM4 P08173 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
GRM4 Q14833 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ELANE P08246 1/20 0.33

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
SCHEMBL30457289 1.00 CCR2 (0.40) CCR2L3MBTL1GPR119KCNH2CHRM4
SCHEMBL31734456 0.87 CCR2 (0.37) CCR2L3MBTL1GRM4
SCHEMBL1016405 0.87 CCR2 (0.37) CCR2L3MBTL1GRM4
SCHEMBL27690017 0.86 CCR2 (0.38) CCR2L3MBTL1GPR119KCNH2CHRM4
SCHEMBL30452455 0.84 CA2 (0.37)
SCHEMBL20300406 0.84 CA2 (0.37)
SCHEMBL13211316 0.83 GPR119 (0.42) CCR2L3MBTL1GPR119KCNH2CHRM4
SCHEMBL24050785 0.81 CA2 (0.41)
SCHEMBL24050330 0.81 TRPV4 (0.36) CCR2L3MBTL1
SCHEMBL1940032 0.81 CYP4F2 (0.44) CCR2GPR119KCNH2CHRM4PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors ORION CORPORATION (FI) 2024-07-09 US disclosed
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors ORION CORPORATION (FI) 2024-07-09 US disclosed
US-20230192677-A1 CYP11A1 INHIBITORS ORION CORPORATION (FI) 2023-06-22 US disclosed
US-20210347765-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORPORATION 2021-11-11 US disclosed
EP-3558981-B1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2021-05-26 EP disclosed
EP-3558981-B1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2021-05-26 EP disclosed
US-20200299280-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2020-09-24 US disclosed
US-20200299280-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2020-09-24 US disclosed
US-10717726-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors ORION CORPORATION (FI) 2020-07-21 US disclosed
US-10717726-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors ORION CORPORATION (FI) 2020-07-21 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 (9 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-20100210610-A1 Organic compounds SLC10A6, SLCO1B3, OPRM1 CCR2 1770/4885L3MBTL1 2784/4885GPR119 1358/4885
US-20230192677-A1 CYP11A1 INHIBITORS CYP11B1, CYP11B2, CYP17A1 CCR2 3815/4885L3MBTL1 4719/4885GPR119 461/4885
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 CCR2 6/4885L3MBTL1 4090/4885GPR119 1176/4885
US-10717726-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors CYP11B1, CYP11B2, CYP4A11 CCR2 3593/4885L3MBTL1 1679/4885GPR119 601/4885
US-20210347765-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 CCR2 3593/4885L3MBTL1 1679/4885GPR119 601/4885
US-20100204225-A1 Organic compounds SLC10A6, SLCO1B3, OPRM1 CCR2 1770/4885L3MBTL1 2784/4885GPR119 1358/4885
US-12030871-B2 Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors CYP11B1, CYP11B2, CYP4A11 CCR2 3593/4885L3MBTL1 1679/4885GPR119 601/4885
US-20080312230-A1 Organic Compounds OPRM1, OPRL1, OPRD1 CCR2 1117/4885L3MBTL1 1968/4885GPR119 1033/4885
US-20200299280-A1 PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS CYP11B1, CYP11B2, CYP4A11 CCR2 3593/4885L3MBTL1 1679/4885GPR119 601/4885

“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.