SCHEMBL953785

SCHEMBL953785

CC/C(=N/OCc1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.46
CA1 P00915 5/20 0.46
ALDH1A1 P00352 3/20 0.46
CTBP2 P56545 1/20 0.44
CA9 Q16790 5/20 0.43
PPARG P37231 2/20 0.43
PPARA Q07869 1/20 0.43
CA12 O43570 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX5 P09917 1/20 0.40
CETP P11597 1/20 0.40

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
SCHEMBL953786 1.00 CA2 (0.46) CA2CA1ALDH1A1CTBP2CA9
SCHEMBL2052029 0.89 NPC1 (0.44) CA2CA1ALDH1A1CA9PPARG
SCHEMBL2052031 0.89 NPC1 (0.44) CA2CA1ALDH1A1CA9PPARG
SCHEMBL9898038 0.88 CA2 (0.45) CA2CA1ALDH1A1CA9PPARG
SCHEMBL9898039 0.88 CA2 (0.45) CA2CA1ALDH1A1CA9PPARG
SCHEMBL11110696 0.84 CTBP2 (0.59) CA2CA1ALDH1A1CTBP2CA9
SCHEMBL11110698 0.84 CTBP2 (0.59) CA2CA1ALDH1A1CTBP2CA9
SCHEMBL7786991 0.83 CA2 (0.44) CA2CA1ALDH1A1CA9PPARG
SCHEMBL7786989 0.83 CA2 (0.44) CA2CA1ALDH1A1CA9PPARG
SCHEMBL23780246 0.83 CA2 (0.46) CA2CA1ALDH1A1CTBP2CA9

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 3 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

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 CA2 1547/4885CA1 2757/4885ALDH1A1 430/4885

“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.