SCHEMBL1940828

SCHEMBL1940828

O=Cc1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ PTPRZ1 P23471 1/20 0.46
▸ KIF11 P52732 3/20 0.44
▸ STS P08842 1/20 0.39
▸ CYP2A6 P11509 3/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ALDH5A1 P51649 1/20 0.39
▸ ABAT P80404 1/20 0.39
▸ ESPL1 Q14674 1/20 0.39
▸ EPAS1 Q99814 1/20 0.38
▸ PIP4K2A P48426 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TYR P14679 1/20 0.35

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
SCHEMBL24512752 0.89 PTPRZ1 (0.50) LMNAMAPK1HTTSMN1; SMN2ALDH1A1
SCHEMBL20906806 0.81 TDP1 (0.55) LMNAMAPK1HTTSMN1; SMN2ALDH1A1
SCHEMBL3941495 0.80 ALDH1A1 (0.47) LMNAMAPK1HTTSMN1; SMN2ALDH1A1
SCHEMBL3941498 0.80 ALDH1A1 (0.47) LMNAMAPK1HTTSMN1; SMN2ALDH1A1
SCHEMBL21309540 0.78 ALDH1A1 (0.57) ALDH1A1STSCYP2A6HSD17B10ALDH5A1
SCHEMBL11354401 0.77 HSD17B10 (0.36) LMNAMAPK1HTTSMN1; SMN2ALDH1A1
SCHEMBL9295693 0.76 ALDH1A1 (0.46) LMNAMAPK1HTTSMN1; SMN2ALDH1A1
SCHEMBL30395738 0.76 ALDH1A1 (0.46) LMNAMAPK1HTTSMN1; SMN2ALDH1A1
SCHEMBL5124497 0.76 LMNA (0.46) LMNAMAPK1HTTSMN1; SMN2ALDH1A1
SCHEMBL7937243 0.75 ALDH1A1 (0.52) LMNAMAPK1HTTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 — — US disclosed
US-20240383904-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-11-21 — — US disclosed
US-20240199587-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-06-20 — — US disclosed
CN-118103374-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2024-05-28 — — CN disclosed
US-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 — — US disclosed
EP-4326714-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-02-28 — — EP disclosed
CN-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 — — CN disclosed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 — — EP disclosed
CN-115989228-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-04-18 — — CN disclosed
WO-2022223750-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2022-10-27 — — WO 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
EP-0575494-A4 — — 1994-04-20 — — EP disclosed
EP-0575494-A1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-12-29 — — EP disclosed
WO-1992016104-A1 LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1992-10-01 — — 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 (6 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 LMNA 3623/4885MAPK1 1022/4885HTT 3098/4885
US-20240199587-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP4B1 LMNA 711/4885MAPK1 2712/4885HTT 820/4885
US-20240383904-A1 HETEROCYCLIC COMPOUNDS MAGI3, MAG, MAGT1 LMNA 1449/4885MAPK1 1174/4885HTT 1577/4885
US-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY LMNA 154/4885MAPK1 3732/4885HTT 1702/4885
US-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 LMNA 3406/4885MAPK1 2494/4885HTT 83/4885
US-20080312230-A1 Organic Compounds OPRM1, OPRL1, OPRD1 LMNA 2859/4885MAPK1 2992/4885HTT 2136/4885

“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.

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