SCHEMBL4889955

SCHEMBL4889955

Cc1cc(=O)[nH]c(=O)n1CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 5/20 0.47
GRIN2D O15399 2/20 0.45
GRIN3B O60391 2/20 0.45
GRIA1 P42261 2/20 0.45
GRIA2 P42262 2/20 0.45
GRIA3 P42263 2/20 0.45
GRIA4 P48058 2/20 0.45
GRIN1 Q05586 2/20 0.45
GRIN2A Q12879 2/20 0.45
GRIN2B Q13224 2/20 0.45
GRIN2C Q14957 2/20 0.45
GRIN3A Q8TCU5 2/20 0.45
LMNA P02545 1/20 0.43
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL30423980 0.83 ALDH1A1 (0.47) TYMPGRIN2DGRIN3BGRIA1GRIA2
SCHEMBL8768819 0.79 TYMP (0.44) TYMPKDM4EALDH1A1CYP3A4HPGD
SCHEMBL7962149 0.79 ALDH1A1 (0.58) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL4960409 0.77 POLB (0.46) TYMPLMNAKDM4EALDH1A1CYP3A4
SCHEMBL18072360 0.76 HSD17B10 (0.53) TYMPLMNAKDM4EALDH1A1MAPT
SCHEMBL4618373 0.75 KDM4E (0.46) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL11503765 0.75 LMNA (0.50) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL4469664 0.74 KDM4E (0.45) TYMPLMNAKDM4EALDH1A1HPGD
SCHEMBL4480638 0.74 HPGD (0.66) TYMPLMNAKDM4EALDH1A1CYP3A4
SCHEMBL29776965 0.73 B3GNT2 (0.43) TYMPGRIN1GRIN2BLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214589-A1 Thrombin Inhibiting 2,4-Dioxo-3,4-Dihydropyrimidine Derivatives ASTRAZENECA AB (SE) 2008-09-04 US disclosed
EP-0792283-A1 SYNTHESIS OF PEPTIDE NUCLEIC ACIDS (PNAs) AND ANALOGUES VIA SUBMONOMER APPROACH CHIRON CORPORATION (US) 1997-09-03 EP disclosed
WO-1996015143-A1 SYNTHESIS OF PEPTIDE NUCLEIC ACIDS (PNAs) AND ANALOGUES VIA SUBMONOMER APPROACH CHIRON CORPORATION (US) 1996-05-23 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-20080214589-A1 Thrombin Inhibiting 2,4-Dioxo-3,4-Dihydropyrimidine Derivatives F2, PLAT, F2R TYMP 114/4885GRIN2D 2709/4885GRIN3B 2670/4885

“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.