SCHEMBL5008449

SCHEMBL5008449

CC(C)C(=O)C(C)(C(=O)O)C(=O)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
BCL2L1 Q07817 1/20 0.39
BAD Q92934 1/20 0.39
MLYCD O95822 3/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
CRHBP P24387 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5013789 0.83 MLYCD (0.40) NPC1CES2CES1MLYCDHPGD
SCHEMBL8223282 0.73 CES1 (0.46) NPC1CES2CES1BCL2L1BAD
SCHEMBL2625487 0.72 CES2 (0.54) NPC1CES2CES1BCL2L1BAD
SCHEMBL1716676 0.72 CES1 (0.45) NPC1CES2CES1BCL2L1BAD
SCHEMBL28419945 0.70 CES1 (0.52) NPC1CES2CES1BCL2L1BAD
SCHEMBL28131720 0.70 CES2 (0.41) NPC1CES2CES1BCL2L1BAD
SCHEMBL2696027 0.70 CES2 (0.52) NPC1CES2CES1BCL2L1BAD
SCHEMBL5466629 0.70 CES2 (0.52) NPC1CES2CES1BCL2L1BAD
SCHEMBL7804393 0.70 CES1 (0.52) NPC1CES2CES1BCL2L1BAD
SCHEMBL29043915 0.69 CES2 (0.50) NPC1CES2CES1BCL2L1BAD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080009622-A1 METHOD FOR PRODUCING PYRIMIDINE COMPOUND AJINOMOTO CO., INC. (JP) 2008-01-10 US disclosed
EP-1849765-A1 METHOD FOR PRODUCING PYRIMIDINE COMPOUND Ajinomoto Co., Inc. (JP) 2007-10-31 EP 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-20080009622-A1 METHOD FOR PRODUCING PYRIMIDINE COMPOUND TYMS, TYMP, UMPS NPC1 4339/4885CES2 2171/4885CES1 2569/4885

“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.