SCHEMBL7073648

SCHEMBL7073648

CCCOC(=O)C(=O)/C=C/OCC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.41
CASP1 P29466 1/20 0.36
ATM Q13315 1/20 0.35
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 3/20 0.32
THRB P10828 1/20 0.32
TSHR P16473 3/20 0.32
LMNA P02545 1/20 0.32
APP P05067 1/20 0.31
ESR1 P03372 1/20 0.31
CHRM1 P11229 1/20 0.31
SLC6A2 P23975 1/20 0.31
KDR P35968 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GLO1 Q04760 1/20 0.31
ALOX5 P09917 1/20 0.30

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
SCHEMBL7073650 1.00 HCAR2 (0.41) HCAR2CASP1ATMGAASMN1; SMN2
SCHEMBL7074062 0.90 HCAR2 (0.42) HCAR2ATMGAASMN1; SMN2ALDH1A1
SCHEMBL7073359 0.89 ATM (0.50) HCAR2CASP1ATMSMN1; SMN2ALDH1A1
SCHEMBL7073361 0.89 ATM (0.50) HCAR2CASP1ATMSMN1; SMN2ALDH1A1
SCHEMBL983248 0.86 NPSR1 (0.42) HCAR2CASP1GAASMN1; SMN2ALDH1A1
SCHEMBL983246 0.86 NPSR1 (0.42) HCAR2CASP1GAASMN1; SMN2ALDH1A1
SCHEMBL7068385 0.85 ATM (0.46) HCAR2ATMGAASMN1; SMN2ALDH1A1
SCHEMBL7066576 0.85 NPSR1 (0.38) HCAR2ATMGAASMN1; SMN2ALDH1A1
SCHEMBL7070257 0.82 HCAR2 (0.42) HCAR2ATMGAASMN1; SMN2ALDH1A1
SCHEMBL7070259 0.82 HCAR2 (0.42) HCAR2ATMGAASMN1; SMN2ALDH1A1

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 HCAR2 672/4885CASP1 1516/4885ATM 2619/4885

“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.