SCHEMBL2518752

SCHEMBL2518752

CCOC(=O)CN(CC(C)(C)C)S(=O)(=O)c1ccc(OCCCCl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MMP3 P08254 5/20 0.45
LTA4H P09960 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.39
CNR2 P34972 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 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
SCHEMBL7345745 0.76 MMP3 (0.73) GAANPSR1ALDH1A1MMP3LTA4H
SCHEMBL2513975 0.71 MEP1B (0.56) ALDH1A1MMP3
SCHEMBL2518753 0.70 CA12 (0.41) GAANPSR1ALDH1A1MMP1MMP9
SCHEMBL7350174 0.69 ALDH1A1 (0.81) ALDH1A1MMP3CNR2
SCHEMBL7342014 0.69 ALDH1A1 (0.64) ALDH1A1MMP3MMP1MMP2MMP8
SCHEMBL6781796 0.69 TBXAS1 (0.57) ALDH1A1LTA4HSMN1; SMN2
SCHEMBL22252000 0.68 KEAP1 (0.76) NPSR1ALDH1A1L3MBTL1LMNACNR2
SCHEMBL3610735 0.68 POLB (0.46) GAAALDH1A1L3MBTL1POLBSMN1; SMN2
SCHEMBL22252122 0.68 KEAP1 (0.73) ALDH1A1MMP3LMNAMMP1MMP2
SCHEMBL7000836 0.68 BMP1 (0.69) ALDH1A1MMP3MMP1MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034810-B2 Matrix metalloproteinase inhibitors; antiinflammatory agengs; rheumatoid arthritis, osteoarthritis; antitumor, anticarcinogenic, and antimetastasis agents; respiratory system disorders, chronic obstructive pulmonary disease, deblocking, deprotecting NOVARTIS AG (CH) 2011-10-11 US disclosed
EP-1202961-B1 ARYLSULFONAMIDO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES NOVARTIS AG (CH) 2010-01-20 EP disclosed
EP-2085379-A1 Arylsulfonamido-substituted hydroxamic acid derivatives Novartis AG (CH) 2009-08-05 EP disclosed
US-20080275127-A1 Arylsulfonamido-substituted hydroxamic acid derivatives BREITENSTEIN WERNER 2008-11-06 US disclosed
US-7138432-B1 Arylsulfonamido-substituted hydroxamic acid derivatives NOVARTIS AG (CH) 2006-11-21 US disclosed
EP-1202961-A1 ARYLSULFONAMIDO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES Novartis AG (CH) 2002-05-08 EP disclosed
WO-2001010827-A1 ARYLSULFONAMIDO-SUBSTITUTED HYDROXAMIC ACID DERIVATIVES NOVARTIS AG (CH) 2001-02-15 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 (1 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-20080275127-A1 Arylsulfonamido-substituted hydroxamic acid derivatives MMP13, MMP2, MMP1 GAA 2289/4885NPSR1 1550/4885ALDH1A1 1031/4885

“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.