SCHEMBL774694

SCHEMBL774694

CCC(=O)OCSN1C(=O)CCC1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
BLM P54132 1/20 0.41
WRN Q14191 1/20 0.41
HIF1A Q16665 1/20 0.41
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.33
NAAA Q02083 1/20 0.32
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL20969054 0.72 ALDH1A1 (0.63) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL6889238 0.71 GLA (0.33) ALDH1A1KDM4E
SCHEMBL2738364 0.71 ALDH1A1 (0.41) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL23922917 0.71 ALOX12 (0.42) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL30474637 0.71 ALDH1A1 (0.38) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL17756748 0.71 ALDH1A1 (0.38) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL57077 0.71 ALDH1A1 (0.38) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL11089620 0.69 LMNA (0.31) CHRM2CHRM4CHRM1CHRM3
Ethyl Propionate SCHEMBL27577859 0.69 ALDH1A1 (0.42) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL13540116 0.69 GAA (0.41) ALDH1A1CYP1A2HPGDCYP2C19BLM

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-20120071640-A1 Sulfurizing reagents and their use for oligonucleotides synthesis GIRINDUS AMERICA, INC. (US) 2012-03-22 US disclosed
US-20120071640-A1 Sulfurizing reagents and their use for oligonucleotides synthesis GIRINDUS AMERICA, INC. (US) 2012-03-22 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-20120071640-A1 Sulfurizing reagents and their use for oligonucleotides synthesis RRM1, SRRT, NSUN2 ALDH1A1 3432/4885CYP1A2 2799/4885HPGD 3443/4885

“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.