SCHEMBL7066576

SCHEMBL7066576

CCCOC=CC(=O)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
GLO1 Q04760 1/20 0.38
HCAR2 Q8TDS4 2/20 0.37
ATM Q13315 1/20 0.35
ALDH1A1 P00352 4/20 0.34
CYP2D6 P10635 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FAAH O00519 2/20 0.34
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C9 P11712 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32

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
SCHEMBL7074062 0.90 HCAR2 (0.42) HCAR2ATMALDH1A1SMN1; SMN2TSHR
SCHEMBL7068403 0.89 ATM (0.46) NPSR1GLO1HCAR2ATMALDH1A1
SCHEMBL7068400 0.89 ATM (0.46) NPSR1GLO1HCAR2ATMALDH1A1
SCHEMBL983248 0.86 NPSR1 (0.42) NPSR1GLO1HCAR2ALDH1A1CYP2D6
SCHEMBL983246 0.86 NPSR1 (0.42) NPSR1GLO1HCAR2ALDH1A1CYP2D6
SCHEMBL7071631 0.85 ATM (0.50) NPSR1HCAR2ATMALDH1A1CYP2D6
SCHEMBL7073648 0.85 HCAR2 (0.41) NPSR1GLO1HCAR2ATMALDH1A1
SCHEMBL7073650 0.85 HCAR2 (0.41) NPSR1GLO1HCAR2ATMALDH1A1
SCHEMBL7070479 0.82 HCAR2 (0.34) HCAR2ATM
SCHEMBL7068385 0.81 ATM (0.46) NPSR1HCAR2ATMALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6570015-B2 Reacting alpha-keto ester with an isothiourea UBE INDUSTRIES, LTD. (JP) 2003-05-27 US claimed
US-20030055252-A1 Process for producing 2-substituted thiopyrimidine-4-carboxylate UBE INDUSTRIES, LTD. (JP) 2003-03-20 US claimed
US-6570015-B2 Reacting alpha-keto ester with an isothiourea UBE INDUSTRIES, LTD. (JP) 2003-05-27 US disclosed
US-20030055252-A1 Process for producing 2-substituted thiopyrimidine-4-carboxylate UBE INDUSTRIES, LTD. (JP) 2003-03-20 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-20030055252-A1 Process for producing 2-substituted thiopyrimidine-4-carboxylate DHFR, TYMS, DPYD NPSR1 4479/4885GLO1 1207/4885HCAR2 672/4885

“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.