SCHEMBL7070259

SCHEMBL7070259

CCCOC(=O)C(=O)C=COC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.42
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ATM Q13315 1/20 0.36
ALOX5 P09917 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 4/20 0.32
LMNA P02545 1/20 0.32
APP P05067 1/20 0.32
ESR1 P03372 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
KDR P35968 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL7070257 1.00 HCAR2 (0.42) HCAR2GAASMN1; SMN2ATMALOX5
SCHEMBL7071843 0.89 ATM (0.52) HCAR2SMN1; SMN2ATMALDH1A1TSHR
SCHEMBL7071839 0.89 ATM (0.52) HCAR2SMN1; SMN2ATMALDH1A1TSHR
SCHEMBL7074062 0.84 HCAR2 (0.42) HCAR2GAASMN1; SMN2ATMALOX5
SCHEMBL7071569 0.83 NPSR1 (0.42) HCAR2GAASMN1; SMN2ALDH1A1TSHR
SCHEMBL7071574 0.83 NPSR1 (0.42) HCAR2GAASMN1; SMN2ALDH1A1TSHR
SCHEMBL7073650 0.82 HCAR2 (0.41) HCAR2GAASMN1; SMN2ATMALOX5
SCHEMBL7073648 0.82 HCAR2 (0.41) HCAR2GAASMN1; SMN2ATMALOX5
SCHEMBL7068385 0.79 ATM (0.46) HCAR2GAASMN1; SMN2ATMALDH1A1
SCHEMBL1879216 0.79 HCAR2 (0.61) HCAR2ATMALOX5ALDH1A1TSHR

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 672/4885GAA 3453/4885SMN1; SMN2 3651/4885

“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.