SCHEMBL5202399

SCHEMBL5202399

CC(=O)/C(=C/c1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.53
ALDH1A1 P00352 7/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
GLA P06280 1/20 0.51
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 5/20 0.50
KMT2A Q03164 3/20 0.49
PKM P14618 1/20 0.49
ATM Q13315 1/20 0.49
TP53 P04637 1/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
AKR1C3 P42330 1/20 0.43
MEN1 O00255 1/20 0.43
RAB9A P51151 1/20 0.43
CISD1 Q9NZ45 1/20 0.41
SLC16A3 O15427 1/20 0.41
CYP3A4 P08684 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
SCHEMBL5202408 1.00 FBP1 (0.53) FBP1ALDH1A1L3MBTL1GLAPOLB
SCHEMBL231074 0.91 ALDH1A1 (0.60) FBP1ALDH1A1L3MBTL1GLAPOLB
SCHEMBL5202339 0.89 TP53 (0.55) FBP1ALDH1A1L3MBTL1KDM4EKMT2A
SCHEMBL9480693 0.85 ALDH1A1 (0.53) FBP1ALDH1A1L3MBTL1GLAPOLB
SCHEMBL4579424 0.84 AKR1C3 (0.62) FBP1ALDH1A1L3MBTL1KDM4EKMT2A
SCHEMBL3246531 0.84 AKR1C3 (0.62) FBP1ALDH1A1L3MBTL1KDM4EKMT2A
SCHEMBL20764492 0.84 AKR1C3 (0.62) FBP1ALDH1A1L3MBTL1KDM4EKMT2A
Malonic Acid SCHEMBL10427373 0.81 ALDH1A1 (0.48) FBP1ALDH1A1L3MBTL1KDM4EKMT2A
SCHEMBL9475839 0.81 PDCD1 (0.51) FBP1KDM4EHTTAKR1C3
SCHEMBL9475845 0.81 PDCD1 (0.51) FBP1KDM4EHTTAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554246-B1 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS BAYER HEALTHCARE AG (DE) 2007-08-22 EP disclosed
US-7230017-B2 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2007-06-12 US disclosed
US-20060100207-A1 Dihydropyridinone derivatives BAYER HEALTHCARE AG (DE) 2006-05-11 US disclosed
EP-1554246-A2 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS Bayer HealthCare AG (DE) 2005-07-20 EP disclosed
WO-2004020410-A2 DIHYDROPYRIDINONE DERIVATIVES AS HNE INHIBITORS BAYER HEALTHCARE AG (DE) 2004-03-11 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-20060100207-A1 Dihydropyridinone derivatives TNNI3, DHPS, TNNT2 FBP1 2379/4885ALDH1A1 721/4885L3MBTL1 4385/4885

“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.