SCHEMBL5597268

SCHEMBL5597268

O=C(O)C(=Cc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.61
HTT P42858 2/20 0.53
ALDH1A1 P00352 1/20 0.53
AKR1C3 P42330 3/20 0.53
AKR1C2 P52895 2/20 0.53
AKR1C1 Q04828 2/20 0.53
CYP2C9 P11712 1/20 0.52
GRIK1 P39086 1/20 0.50
CYP1A2 P05177 1/20 0.48
FBP1 P09467 1/20 0.47
HSD17B10 Q99714 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL2674745 0.88 TP53 (0.74) TP53HTTALDH1A1AKR1C3AKR1C1
SCHEMBL10845630 0.88 ALDH1A1 (0.56) TP53HTTALDH1A1AKR1C3AKR1C2
SCHEMBL10845632 0.88 ALDH1A1 (0.56) TP53HTTALDH1A1AKR1C3AKR1C2
SCHEMBL8376691 0.84 FBP1 (0.53) TP53HTTALDH1A1AKR1C3AKR1C2
SCHEMBL6673200 0.82 ALDH1A1 (0.53) HTTALDH1A1AKR1C3AKR1C2AKR1C1
SCHEMBL6673203 0.82 ALDH1A1 (0.53) HTTALDH1A1AKR1C3AKR1C2AKR1C1
SCHEMBL28411890 0.81 TP53 (0.87) TP53HTTALDH1A1AKR1C3AKR1C1
SCHEMBL10351283 0.80 ALDH1A1 (0.67) ALDH1A1AKR1C3AKR1C2AKR1C1CYP2C9
SCHEMBL2414237 0.79 MEN1 (0.66) HTTALDH1A1AKR1C3AKR1C2AKR1C1
SCHEMBL1704759 0.79 ALDH1A1 (0.65) TP53HTTALDH1A1CYP2C9

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 16 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
US-20030176477-A1 Isothiazolecarboxylic acid derivatives and their use as microbicides NIHON BAYER AGROCHEM, K.K. (JP) 2003-09-18 US disclosed
EP-1261592-A1 ISOTHIAZOLECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS MICROBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2002-12-04 EP disclosed
WO-2001055124-A1 ISOTHIAZOLECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS MICROBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2001-08-02 WO disclosed
EP-0066956-B1 ENKEPHALINASE ENZYME INHIBITING COMPOUNDS PFIZER INC. (US) 1984-08-08 EP disclosed
US-4329495-A USEFUL AS ANALGESICS OR ANTICONVULSANTS, CHIRAL 2-(2-BENZYL-3-MERCAPTOPROPIONYLAMINO)-THIOBUTYRIC ACIDS, OR ALKANOL DERIVATIVES PFIZER INC. (US) 1982-05-11 US disclosed
US-4264497-A ANTICHOLINERGIC, ANTISPASMODIC, ANTIULCER AND ANTISECRETORY AGENTS MARUKO SEIYAKU CO., LTD. (JP) 1981-04-28 US disclosed
US-4179511-A Antibacterial 3-(5-tetrazolyl) penam compounds PFIZER INC. (US) 1979-12-18 US disclosed
US-4143039-A ANTIBACTERIAL 3-(5-TETRAZOLYL)PENAM COMPOUNDS PFIZER INC. (US) 1979-03-06 US disclosed
US-4115385-A PENICILLINS PFIZER INC. (US) 1978-09-19 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 (2 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 TP53 3134/4885HTT 3294/4885ALDH1A1 34/4885
US-20030176477-A1 Isothiazolecarboxylic acid derivatives and their use as microbicides IFNG, MPO, CD14 TP53 903/4885HTT 4571/4885ALDH1A1 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.