SCHEMBL5597399

SCHEMBL5597399

NC(c1ccccc1O)C(C(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
TSHR P16473 2/20 0.39
HPGD P15428 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
HMGB1 P09429 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
PTGS1 P23219 2/20 0.38
ALPI P09923 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL11645695 0.87 ALPI (0.43) ALDH1A1PTGS1ALPIPKMXIAP
SCHEMBL2228724 0.82 SLC1A3 (0.42) GABRA1GABRB2TSHRHPGDALDH1A1
SCHEMBL3833921 0.80 GABRA1 (0.56) GABRA1GABRB2TSHRHPGDALDH1A1
SCHEMBL30369671 0.80 GABRA1 (0.56) GABRA1GABRB2TSHRHPGDALDH1A1
SCHEMBL4681487 0.80 GABRA1 (0.56) GABRA1GABRB2TSHRHPGDALDH1A1
SCHEMBL25415814 0.80 GABRA1 (0.56) GABRA1GABRB2TSHRHPGDALDH1A1
SCHEMBL15670229 0.80 GABRA1 (0.56) GABRA1GABRB2TSHRHPGDALDH1A1
SCHEMBL29424779 0.80 GABRA1 (0.56) GABRA1GABRB2TSHRHPGDALDH1A1
SCHEMBL3441250 0.79 MEN1 (0.47) GABRA1GABRB2TSHRHPGDALDH1A1
SCHEMBL9420931 0.79 MEN1 (0.47) GABRA1GABRB2TSHRHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007502314-A 2007-02-08 JP claimed
US-20070010579-A1 Copper salts of organic acids and use thereof as fungicides ISARGO S.P.A. (IT) 2007-01-11 US claimed
EP-1633190-A1 COPPER SALTS OF ORGANIC ACIDS AND USE THEREOF AS FUNGICIDES ISAGRO S.p.A. (IT) 2006-03-15 EP claimed
WO-2004103074-A1 COPPER SALTS OF ORGANIC ACIDS AND USE THEREOF AS FUNGICIDES ISAGRO S.P.A. (IT) 2004-12-02 WO claimed
US-20070010579-A1 Copper salts of organic acids and use thereof as fungicides ISARGO S.P.A. (IT) 2007-01-11 US disclosed
EP-1633190-A1 COPPER SALTS OF ORGANIC ACIDS AND USE THEREOF AS FUNGICIDES ISAGRO S.p.A. (IT) 2006-03-15 EP disclosed
WO-2004103074-A1 COPPER SALTS OF ORGANIC ACIDS AND USE THEREOF AS FUNGICIDES ISAGRO S.P.A. (IT) 2004-12-02 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 (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-20070010579-A1 Copper salts of organic acids and use thereof as fungicides AOC3, AOC2, AOC1 GABRA1 220/4885GABRB2 328/4885TSHR 3805/4885

“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.