SCHEMBL5346498

SCHEMBL5346498

NOCS(=O)(=O)Nc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
KEAP1 Q14145 3/20 0.47
IL1RN P18510 1/20 0.45
ERAP1 Q9NZ08 1/20 0.45
PGR P06401 1/20 0.45
AR P10275 2/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.42
NR3C2 P08235 1/20 0.42
POLB P06746 1/20 0.40
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39

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
SCHEMBL728128 0.78 PGR (0.56) CA1CA2KEAP1IL1RNERAP1
SCHEMBL6007495 0.77 CA1 (0.48) CA1CA2KEAP1IL1RNERAP1
SCHEMBL6007503 0.77 KEAP1 (0.44) CA1CA2KEAP1IL1RNERAP1
SCHEMBL3923476 0.77 CA1 (0.58) CA1CA2KEAP1IL1RNERAP1
SCHEMBL6533144 0.76 CA1 (0.56) CA1CA2KEAP1IL1RNERAP1
SCHEMBL15672897 0.76 CA2 (0.56) CA1CA2KEAP1IL1RNERAP1
SCHEMBL14123868 0.75 RAB9A (0.48) CA1CA2KEAP1IL1RNERAP1
SCHEMBL1972989 0.74 HPGD (0.67) CA1CA2KEAP1IL1RNERAP1
SCHEMBL10443735 0.74 CA2 (0.54) CA1CA2KEAP1IL1RNERAP1
SCHEMBL3763304 0.73 CA1 (0.54) CA1CA2KEAP1IL1RNERAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070238781-A1 Compounds for the modulation of the glykolysis-enzyme-and/or of the transaminase-complex EIGENBRODT ERICH 2007-10-11 US disclosed
US-7223784-B2 Compounds for the modulation of the glycolysis enzyme and/or transaminase complex ScheBo® Biotech AG (DE) 2007-05-29 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-20070238781-A1 Compounds for the modulation of the glykolysis-enzyme-and/or of the transaminase-complex PC, GOT1, PCK1 CA1 925/4885CA2 776/4885KEAP1 484/4885

“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.