SCHEMBL1273156

SCHEMBL1273156

[CH2]S(=O)(=O)CCc1cc2ccccc2cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ PDE10A Q9Y233 3/20 0.41
▸ KDM4C Q9H3R0 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ CXCR3 P49682 1/20 0.36
▸ PLAU P00749 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ MAOA P21397 2/20 0.33
▸ LOXL2 Q9Y4K0 2/20 0.33
▸ MDM2 Q00987 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL1273157 0.83 ATM (0.50) ATML3MBTL1PDE10AKDM4CCYP1A2
SCHEMBL1272666 0.83 ATM (0.45) ATML3MBTL1PDE10AKDM4CCYP1A2
SCHEMBL9569979 0.77 ATM (0.57) ATML3MBTL1PDE10AKDM4CCYP1A2
SCHEMBL1273098 0.75 KDM4E (0.38) PDE10ANPC1MEN1ALDH1A1KMT2A
SCHEMBL9570129 0.74 ATM (0.63) ATML3MBTL1PDE10AKDM4CCYP1A2
SCHEMBL1272269 0.73 PDE10A (0.65) PDE10ACYP1A2MEN1ALDH1A1KMT2A
SCHEMBL5659077 0.73 ATM (0.57) ATML3MBTL1PDE10AKDM4CCYP1A2
SCHEMBL8565810 0.73 L3MBTL1 (0.57) ATML3MBTL1PDE10AKDM4CCYP1A2
SCHEMBL6114924 0.73 ATM (0.57) ATML3MBTL1PDE10AKDM4CCYP1A2
SCHEMBL5659090 0.73 ATM (0.57) ATML3MBTL1PDE10AKDM4CCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866277-B1 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2014-06-25 — — EP claimed
US-20110281879-A1 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2011-11-17 — — US claimed
US-7893093-B2 Sulfonyl containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2011-02-22 — — US claimed
US-20080287446-A1 Sulfonyl Containing Compounds as Cysteine Protease Inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2008-11-20 — — US claimed
EP-1866277-A2 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CELERA GENOMICS (US) 2007-12-19 — — EP claimed
WO-2006102535-A2 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CELERA GENOMICS (US) 2006-09-28 — — WO claimed
CN-101180266-B As the alpha ketoamide compounds of cystatin Vero Bay (US) 2015-11-25 — — CN disclosed
EP-1866277-B1 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2014-06-25 — — EP disclosed
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
US-20110281879-A1 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2011-11-17 — — US disclosed
US-7488848-B2 Alpha ketoamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-02-10 — — US disclosed
US-20080287446-A1 Sulfonyl Containing Compounds as Cysteine Protease Inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2008-11-20 — — US disclosed
EP-1865940-A2 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Applera Corporation (US) 2007-12-19 — — EP disclosed
EP-1866277-A2 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CELERA GENOMICS (US) 2007-12-19 — — EP disclosed
US-20070021353-A1 Alpha ketoamide compounds as cysteine protease inhibitors APPLERA CORPORATION (US) 2007-01-25 — — US disclosed
WO-2006102243-A2 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS APPLERA CORPORATION (US) 2006-09-28 — — WO disclosed
WO-2006102535-A2 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CELERA GENOMICS (US) 2006-09-28 — — 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 (4 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 ATM 4699/4885L3MBTL1 1488/4885PDE10A 3579/4885
US-20110281879-A1 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSS, CTSF, CTSB ATM 4389/4885L3MBTL1 2417/4885PDE10A 3389/4885
US-20080287446-A1 Sulfonyl Containing Compounds as Cysteine Protease Inhibitors CTSS, CTSF, CTSB ATM 4389/4885L3MBTL1 2417/4885PDE10A 3389/4885
US-20070021353-A1 Alpha ketoamide compounds as cysteine protease inhibitors CTSS, CTSF, CTSB ATM 4699/4885L3MBTL1 1488/4885PDE10A 3579/4885

“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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