SCHEMBL2375129

SCHEMBL2375129

CS(=O)(=O)Cc1ncccc1OC(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.43
ADORA2A P29274 3/20 0.37
ADORA1 P30542 3/20 0.37
ADORA2B P29275 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
LMNA P02545 2/20 0.36
PDE4B Q07343 3/20 0.34
PDE4A P27815 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
DRD1 P21728 3/20 0.34
LIPG Q9Y5X9 1/20 0.34
SYK P43405 1/20 0.33
GRM5 P41594 1/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL2375125 0.85 TRPV4 (0.43) TRPV4ADORA2AADORA1ADORA2BADORA3
SCHEMBL16592080 0.79 TRPV4 (0.38) TRPV4ADORA2AADORA1ADORA2BADORA3
SCHEMBL2376210 0.76 TRPV4 (0.54) TRPV4LMNAPDE4BPDE4APDE4C
SCHEMBL27312778 0.76 TRPV4 (0.41) TRPV4ADORA2AADORA1ADORA2BADORA3
SCHEMBL27312772 0.76 ALDH1A1 (0.48) TRPV4LMNAPDE4BPDE4APDE4C
SCHEMBL28452208 0.76 LMNA (0.39) TRPV4ADORA2AADORA1ADORA2BADORA3
SCHEMBL16592091 0.76 TRPV4 (0.38) TRPV4ADORA2AADORA1ADORA2BADORA3
SCHEMBL30852205 0.76 TRPV4 (0.41) TRPV4ADORA2AADORA1ADORA2BADORA3
SCHEMBL1271303 0.74 TNF (0.44) ADORA2ADRD1RAB9AMEN1KMT2A
SCHEMBL22553411 0.74 MAPT (0.41) TRPV4ADORA2AADORA1LMNAPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1865940-B1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2013-02-13 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
US-8013183-B2 Alpha ketoamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2011-09-06 US disclosed
US-20100305331-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2010-12-02 US disclosed
US-7696250-B2 Alpha ketoamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2010-04-13 US disclosed
US-20090170909-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY, INC. (US) 2009-07-02 US disclosed
US-7488848-B2 Alpha ketoamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-02-10 US disclosed
EP-1865940-A2 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Applera Corporation (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

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 TRPV4 3116/4885ADORA2A 4465/4885ADORA1 3509/4885
US-20090170909-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSS, CTSF, CTSB TRPV4 3116/4885ADORA2A 4465/4885ADORA1 3509/4885
US-20070021353-A1 Alpha ketoamide compounds as cysteine protease inhibitors CTSS, CTSF, CTSB TRPV4 3116/4885ADORA2A 4465/4885ADORA1 3509/4885
US-20100305331-A1 ALPHA KETOAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS CTSS, CTSF, CTSB TRPV4 3116/4885ADORA2A 4465/4885ADORA1 3509/4885

“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.