SCHEMBL3317094

SCHEMBL3317094

Cc1ccc(S(=O)(=O)N2[CH]CCCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 3/20 0.57
▸ ALDH1A1 P00352 3/20 0.56
▸ HTT P42858 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ KMT2A Q03164 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ ACHE P22303 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ LMNA P02545 2/20 0.47
▸ GAA P10253 3/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL27519797 0.95 PKM (0.58) PKMALDH1A1HTTPOLBKMT2A
SCHEMBL15624090 0.85 PKM (0.53) PKMALDH1A1HTTPOLBKMT2A
SCHEMBL5915288 0.82 L3MBTL1 (0.54) ALDH1A1HTTPOLBKMT2AMEN1
SCHEMBL293776 0.81 ALDH1A1 (0.51) PKMALDH1A1POLBACHEKDM4E
SCHEMBL1933332 0.79 PKM (0.53) PKMALDH1A1HTTPOLBKMT2A
SCHEMBL436674 0.77 PKM (0.89) PKMALDH1A1HTTPOLBKMT2A
SCHEMBL4537090 0.77 PKM (0.59) PKMALDH1A1HTTPOLBKMT2A
SCHEMBL15945283 0.76 KMT2A (0.86) PKMALDH1A1HTTPOLBKMT2A
SCHEMBL3316800 0.76 CYP2C9 (0.50) PKMALDH1A1POLBACHEKDM4E
SCHEMBL31476293 0.76 ALDH1A1 (0.92) PKMALDH1A1HTTPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105681-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS LASSOIE MARIE-AGNES 2010-04-29 — — US claimed
US-7638630-B2 Very Late Antigen-4 dependent inflammatory disease; asthma, allergic rhinitis, sinusitis, conjunctivitis, food allergy, inflammatory skin disorders, autoimmune disorders, or atherosclerosis, inflammatory skin disorder; methyl 3-[2-(2,6-dichlorophenyl)-6-quinolinyl]-2-hydroxy-2-propenoate UCB PHARMA S.A. (BE) 2009-12-29 — — US claimed
US-20080064720-A1 2,6-Quinolinyl And 2,6-Naphthyl Derivatives, Processes For Preparing Them And Their Uses As Vla-4 Inhibitors UCB, S.A. (BE) 2008-03-13 — — US claimed
EP-1501801-B1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF VLA-4 DEPENDENT DISEASES UCB PHARMA SA (BE) 2008-01-23 — — EP claimed
EP-1870402-A1 2,6-quinolinyl and 2,6-naphthyl derivatives, processes for preparing them and their uses as VLA-4 inhibitors UCB Pharma, S.A. (BE) 2007-12-26 — — EP claimed
EP-1501801-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS UCB, S.A. (BE) 2005-02-02 — — EP claimed
WO-2003093237-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS UCB, S.A. (BE) 2003-11-13 — — WO claimed
CN-101151262-B Substituted piperidines SPEEDEL EXPERIMENTA AG 2011-07-06 — — CN disclosed
US-20100105681-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS LASSOIE MARIE-AGNES 2010-04-29 — — US disclosed
US-7638630-B2 Very Late Antigen-4 dependent inflammatory disease; asthma, allergic rhinitis, sinusitis, conjunctivitis, food allergy, inflammatory skin disorders, autoimmune disorders, or atherosclerosis, inflammatory skin disorder; methyl 3-[2-(2,6-dichlorophenyl)-6-quinolinyl]-2-hydroxy-2-propenoate UCB PHARMA S.A. (BE) 2009-12-29 — — US disclosed
US-20080064720-A1 2,6-Quinolinyl And 2,6-Naphthyl Derivatives, Processes For Preparing Them And Their Uses As Vla-4 Inhibitors UCB, S.A. (BE) 2008-03-13 — — US disclosed
EP-1501801-B1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF VLA-4 DEPENDENT DISEASES UCB PHARMA SA (BE) 2008-01-23 — — EP disclosed
EP-1870402-A1 2,6-quinolinyl and 2,6-naphthyl derivatives, processes for preparing them and their uses as VLA-4 inhibitors UCB Pharma, S.A. (BE) 2007-12-26 — — EP disclosed
US-7186710-B2 Phthalazinones ALTANA PHARMA AG (DE) 2007-03-06 — — US disclosed
EP-1501801-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS UCB, S.A. (BE) 2005-02-02 — — EP disclosed
US-20040127707-A1 PDE4/7 inhibitors useful in treatment of airway disorders, autoimmune system disorders, skin disorders, arthritis, nerve system disorders ALTANA PHARMA AG (DE) 2004-07-01 — — US disclosed
WO-2003093237-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS UCB, S.A. (BE) 2003-11-13 — — 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 (3 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-20040127707-A1 PDE4/7 inhibitors useful in treatment of airway disorders, autoimmune system disorders, skin disorders, arthritis, nerve system disorders PDE4A, PDE4B, PDE7B PKM 3952/4885ALDH1A1 862/4885HTT 4710/4885
US-20080064720-A1 2,6-Quinolinyl And 2,6-Naphthyl Derivatives, Processes For Preparing Them And Their Uses As Vla-4 Inhibitors VCAM1, HRH4, LTA4H PKM 4391/4885ALDH1A1 2945/4885HTT 2971/4885
US-20100105681-A1 2,6-QUINOLINYL AND 2,6-NAPHTHYL DERIVATIVES, PROCESSES FOR PREPARING THEM AND THEIR USES AS VLA-4 INHIBITORS SCN4A, NECTIN4, VPS4B PKM 3312/4885ALDH1A1 1048/4885HTT 3690/4885

“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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