SCHEMBL758322

SCHEMBL758322

[CH2]S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.63
L3MBTL1 Q9Y468 1/20 0.57
F2 P00734 2/20 0.52
PRSS1 P07477 2/20 0.52
PRSS2 P07478 2/20 0.52
PRSS3 P35030 2/20 0.52
MCOLN3 Q8TDD5 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
PKM P14618 3/20 0.47
ATM Q13315 1/20 0.47
CYP19A1 P11511 1/20 0.47
SNCA P37840 1/20 0.46
PKLR P30613 1/20 0.45

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
SCHEMBL1952494 0.81 LMNA (0.68) LMNAL3MBTL1F2PRSS1PRSS2
SCHEMBL294027 0.79 LMNA (0.65) LMNAL3MBTL1F2PRSS1PRSS2
SCHEMBL12283586 0.78 LMNA (0.70) LMNAL3MBTL1F2PRSS1PRSS2
Formaldehyde SCHEMBL912817 0.78 LMNA (0.59) LMNAL3MBTL1F2PRSS1PRSS2
Formaldehyde SCHEMBL332352 0.78 SNCA (0.61) LMNAL3MBTL1F2PRSS1PRSS2
Formaldehyde SCHEMBL8630967 0.78 LMNA (0.59) LMNAL3MBTL1F2PRSS1PRSS2
SCHEMBL8243698 0.78 LMNA (0.59) LMNAL3MBTL1F2PRSS1PRSS2
SCHEMBL6113091 0.77 LMNA (0.63) LMNAL3MBTL1F2PRSS1PRSS2
SCHEMBL1588805 0.77 LMNA (0.63) LMNAL3MBTL1F2PRSS1PRSS2
SCHEMBL9888371 0.77 LMNA (0.63) LMNAL3MBTL1F2PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207706-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD (JP) 2008-08-28 US claimed
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US claimed
US-20060074113-A1 Thiadiazoline derivative KYOWA KIRIN CO., LTD. (JP) 2006-04-06 US claimed
EP-1454903-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-08 EP claimed
US-8450373-B2 Alpha ketoamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2013-05-28 US disclosed
EP-1865940-B1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2013-02-13 EP disclosed
EP-2511257-A2 Alpha ketoamide compounds as cysteine protease inhibitors ViroBay, Inc. (US) 2012-10-17 EP disclosed
US-20120190714-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS APPLERA CORPORATION (US) 2012-07-26 US disclosed
EP-1847534-B9 Thiadiazoline derivatives for treating cancer KYOWA HAKKO KIRIN CO LTD (JP) 2012-03-21 EP disclosed
US-8013183-B2 Alpha ketoamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2011-09-06 US disclosed
EP-1847534-B1 Thiadiazoline derivatives for treating cancer KYOWA HAKKO KIRIN CO LTD (JP) 2011-06-22 EP disclosed
US-7902234-B2 Thiadiazoline derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-03-08 US disclosed
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US disclosed
US-20070021353-A1 Alpha ketoamide compounds as cysteine protease inhibitors APPLERA CORPORATION (US) 2007-01-25 US disclosed
EP-1694357-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2006-08-30 EP disclosed
US-20060074113-A1 Thiadiazoline derivative KYOWA KIRIN CO., LTD. (JP) 2006-04-06 US disclosed
WO-2005058348-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2005-06-30 WO disclosed
EP-1454903-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-08 EP disclosed
EP-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 EP disclosed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 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 (5 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-20120190714-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSS, CTSF, CTSB LMNA 1339/4885L3MBTL1 1488/4885F2 1201/4885
US-20060074113-A1 Thiadiazoline derivative BRWD1, RB1, ARG2 LMNA 3970/4885L3MBTL1 88/4885F2 4423/4885
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE LMNA 1707/4885L3MBTL1 4113/4885F2 3527/4885
US-20070021353-A1 Alpha ketoamide compounds as cysteine protease inhibitors CTSS, CTSF, CTSB LMNA 1339/4885L3MBTL1 1488/4885F2 1201/4885
US-20080207706-A1 THIADIAZOLINE DERIVATIVE BRWD1, RB1, ARG2 LMNA 3970/4885L3MBTL1 88/4885F2 4423/4885

“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.