SCHEMBL1272142

SCHEMBL1272142

CS(=O)(=O)Cc1cnccc1-c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.50
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 5/20 0.42
CYP2A6 P11509 5/20 0.42
CYP1A2 P05177 4/20 0.42
ALDH1A1 P00352 1/20 0.42
KCNA5 P22460 2/20 0.42
CKS1B P61024 1/20 0.42
SKP2 Q13309 1/20 0.42
CYP2E1 P05181 4/20 0.41
CYP2D6 P10635 4/20 0.41
CYP2C9 P11712 4/20 0.41
CYP2C19 P33261 4/20 0.41
CYP2B6 P20813 3/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
TDO2 P48775 1/20 0.41

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
SCHEMBL1273256 0.89 CYP17A1 (0.45) PTGS2CYP3A4CYP2A6CYP1A2ALDH1A1
SCHEMBL1272715 0.88 PTGS2 (0.50) PTGS2LMNAPOLBCYP3A4CYP2A6
SCHEMBL1273174 0.85 PDE3B (0.41) PTGS2LMNACYP3A4CYP2A6CYP1A2
SCHEMBL1271418 0.85 PTGS2 (0.48) PTGS2LMNAPOLBCYP3A4CYP2A6
SCHEMBL1272140 0.84 PTGS2 (0.43) PTGS2LMNACYP3A4CYP2A6CYP1A2
SCHEMBL1272709 0.77 PTGS2 (0.52) PTGS2LMNAPOLBCYP3A4CYP2A6
SCHEMBL1272238 0.76 CYP17A1 (0.45) PTGS2CYP3A4CYP2A6CYP1A2ALDH1A1
SCHEMBL1271414 0.76 PTGS2 (0.41) PTGS2LMNACYP3A4CYP2A6CYP1A2
SCHEMBL1272630 0.76 PTGS2 (0.48) PTGS2LMNAPOLBCYP3A4CYP2A6
SCHEMBL1272639 0.76 CYP2A6 (0.42) PTGS2LMNAPOLBCYP2A6CYP1A2

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 24 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
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-8013183-B2 Alpha ketoamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2011-09-06 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 PTGS2 1226/4885LMNA 1339/4885POLB 2175/4885
US-20110281879-A1 SULFONYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSS, CTSF, CTSB PTGS2 2610/4885LMNA 2536/4885POLB 4029/4885
US-20080287446-A1 Sulfonyl Containing Compounds as Cysteine Protease Inhibitors CTSS, CTSF, CTSB PTGS2 2610/4885LMNA 2536/4885POLB 4029/4885
US-20070021353-A1 Alpha ketoamide compounds as cysteine protease inhibitors CTSS, CTSF, CTSB PTGS2 1226/4885LMNA 1339/4885POLB 2175/4885

“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.