SCHEMBL934854

SCHEMBL934854

CC(=NOCc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.56
ALDH1A1 P00352 4/20 0.53
PTGS2 P35354 1/20 0.51
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PPARG P37231 2/20 0.45
PPARA Q07869 1/20 0.45
MAOB P27338 2/20 0.45
MAPK1 P28482 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
S1PR1 P21453 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
BRD4 O60885 1/20 0.41
LMNA P02545 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
SCHEMBL934853 1.00 ALOX5 (0.56) ALOX5ALDH1A1PTGS2NPC1RAB9A
SCHEMBL1629179 0.89 ALDH1A1 (0.53) ALOX5ALDH1A1PTGS2NPC1RAB9A
SCHEMBL1629181 0.89 ALDH1A1 (0.53) ALOX5ALDH1A1PTGS2NPC1RAB9A
SCHEMBL9900542 0.89 ALDH1A1 (0.53) ALOX5ALDH1A1PTGS2NPC1RAB9A
SCHEMBL2047156 0.88 NPC1 (0.50) ALOX5ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL2047154 0.88 NPC1 (0.50) ALOX5ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL408659 0.86 ALDH1A1 (0.50) ALOX5ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL408656 0.86 ALDH1A1 (0.50) ALOX5ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL9898660 0.84 ALDH1A1 (0.49) ALOX5ALDH1A1PTGS2NPC1RAB9A
SCHEMBL9898661 0.84 ALDH1A1 (0.49) ALOX5ALDH1A1PTGS2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010130708-A9 BETA-LACTAMASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-13 WO disclosed
WO-2010130708-A1 BETA-LACTAMASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2010-11-18 WO disclosed
US-20100292185-A1 BETA-LACTAMASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD (BM) 2010-11-18 US disclosed
US-7589159-B2 Process for producing radical polymer TECHNO NETWORK SHIKOKU CO., LTD. (JP) 2009-09-15 US disclosed
US-20070032615-A1 Process for producing radical polymer TECHNO NETWORK SHIKOKU CO., LTD. (JP) 2007-02-08 US disclosed
EP-0048911-B1 O-SUBSTITUTED OXIMES OF ALPHA-KETOCARBOXYLIC ACID, PREPARATION AND PHARMACEUTICAL COMPOSITIONS Roche Diagnostics GmbH (DE) 1984-12-05 EP disclosed
US-4425360-A Pharmacologically active novel O-substituted pyruvic acid oximes BOEHRINGER MANNHEIM GMBH (DE) 1984-01-10 US disclosed
EP-0048911-A2 O-substituted oximes of alpha-ketocarboxylic acid, preparation and pharmaceutical compositions Roche Diagnostics GmbH (DE) 1982-04-07 EP 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 (1 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-20100292185-A1 BETA-LACTAMASE INHIBITORS GANAB, BPGM, BLVRB ALOX5 1280/4885ALDH1A1 430/4885PTGS2 2603/4885

“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.