SCHEMBL5597287

SCHEMBL5597287

O=C(O)C(=Cc1ccc(Br)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.61
MEN1 O00255 1/20 0.55
S1PR4 O95977 1/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
S1PR1 P21453 1/20 0.55
MAPK1 P28482 1/20 0.55
KMT2A Q03164 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HTT P42858 1/20 0.48
AKR1C3 P42330 2/20 0.47
ALDH1A1 P00352 2/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.44
KDM4E B2RXH2 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 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
SCHEMBL2674745 0.88 TP53 (0.74) TP53HTTAKR1C3ALDH1A1GLA
SCHEMBL1290009 0.82 AKR1C3 (0.47) TP53MEN1S1PR4LMNAMAPT
SCHEMBL1290011 0.82 AKR1C3 (0.47) TP53MEN1S1PR4LMNAMAPT
SCHEMBL28411890 0.81 TP53 (0.87) TP53MEN1KMT2AHTTAKR1C3
SCHEMBL126544 0.80 AKR1C3 (0.69) MEN1S1PR4LMNAMAPTS1PR1
SCHEMBL126545 0.80 AKR1C3 (0.69) MEN1S1PR4LMNAMAPTS1PR1
SCHEMBL4216116 0.80 AKR1C3 (0.69) MEN1S1PR4LMNAMAPTS1PR1
SCHEMBL12630700 0.80 ALDH1A1 (0.67) MEN1S1PR4LMNAMAPTS1PR1
SCHEMBL2812585 0.79 MAPT (0.85) MEN1S1PR4LMNAMAPTS1PR1
SCHEMBL1704759 0.79 ALDH1A1 (0.65) TP53MEN1KMT2AHTTALDH1A1

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
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-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

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 TP53 3134/4885MEN1 469/4885S1PR4 4801/4885

“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.