SCHEMBL3752334

SCHEMBL3752334

[CH2]c1ccc(S(C)(=O)=O)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
PTGS2 P35354 5/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
LRRK2 Q5S007 1/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
G6PD P11413 1/20 0.40
IDE P14735 1/20 0.40
ENPP2 Q13822 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL687066 0.83 LMNA (0.55) LMNAPTGS2ALDH1A1MAPTG6PD
SCHEMBL755309 0.80 LMNA (0.60) LMNAPTGS2ALDH1A1MAPT
SCHEMBL5117200 0.77 SMN1; SMN2 (0.55) LMNAALDH1A1G6PDIDEENPP2
SCHEMBL863161 0.77 PTGS2 (0.58) LMNAPTGS2ALDH1A1MAPT
SCHEMBL1650304 0.76 PTGS2 (0.52) LMNAPTGS2MAPTCYP11B1CYP11B2
SCHEMBL3757905 0.75 PTGS2 (0.46) PTGS2G6PDIDEENPP2SMN1; SMN2
SCHEMBL303829 0.75 CA1 (0.68) LMNAPTGS2ALDH1A1MAPTPDK1
SCHEMBL9988774 0.75 LMNA (0.50) LMNAPTGS2ALDH1A1MAPTPDK1
SCHEMBL12833714 0.75 LMNA (0.50) LMNAPTGS2ALDH1A1MAPTLRRK2
SCHEMBL585689 0.75 PTGS2 (0.65) LMNAPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2861566-B1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN LA ROCHE (CH) 2016-12-21 EP claimed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US claimed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP claimed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO claimed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US claimed
EP-1194428-B1 HETEROARYL PROTEASE INHIBITORS AND DIAGNOSTIC IMAGING AGENTS DIMENSIONAL PHARM INC (US) 2003-09-17 EP claimed
US-6420397-B1 Heteroaryl protease inhibitors and diagnostic imaging agents 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-07-16 US claimed
EP-1194428-A1 HETEROARYL PROTEASE INHIBITORS AND DIAGNOSTIC IMAGING AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-04-10 EP claimed
WO-2001004117-A1 HETEROARYL PROTEASE INHIBITORS AND DIAGNOSTIC IMAGING AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-01-18 WO claimed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US disclosed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP disclosed
US-7402586-B2 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-07-22 US disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO disclosed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US disclosed
WO-2001004117-A1 HETEROARYL PROTEASE INHIBITORS AND DIAGNOSTIC IMAGING AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-01-18 WO disclosed
WO-2000073302-A1 OXAZAHETEROCYCLES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-12-07 WO disclosed
EP-1036063-A1 HETEROARYL AMINOGUANIDINES AND ALKOXYGUANIDINES AND THEIR USE AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-09-20 EP disclosed
US-6037356-A ANTICOAGULANTS; ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-03-14 US disclosed
WO-1999026926-A1 HETEROARYL AMINOGUANIDINES AND ALKOXYGUANIDINES AND THEIR USE AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed
CN-1146204-A Oxazole heterocyclic aromatic compound and use thereof JAPAN TOBACCO INC (JP) 1997-03-26 CN 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 (2 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-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 LMNA 228/4885PTGS2 3155/4885ALDH1A1 315/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 LMNA 461/4885PTGS2 1379/4885ALDH1A1 310/4885

“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.