SCHEMBL17036883

SCHEMBL17036883

COP(=O)(OC)OCCSC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.38
POLB P06746 1/20 0.36
BLM P54132 1/20 0.36
ATM Q13315 1/20 0.36
CYP3A4 P08684 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 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
SCHEMBL13179006 0.96 CYP2C19 (0.38) CYP2C19POLBBLMATMCYP3A4
SCHEMBL17036889 0.87 CYP3A4 (0.36) CYP2C19POLBBLMATMCYP3A4
SCHEMBL17036884 0.81 CYP3A4 (0.38) CYP3A4CA12CA1CA2CA9
SCHEMBL17036886 0.79
SCHEMBL17036885 0.79 CA12 (0.44) CA12CA1CA2CA9
SCHEMBL2488440 0.78
SCHEMBL22390227 0.78 TP53 (0.39) CYP2C19POLBBLMATM
SCHEMBL15833170 0.76 CA12 (0.44) CA12CA1CA2CA9
SCHEMBL17036899 0.75 CA12 (0.34) CA12CA1CA2CA9
SCHEMBL17719224 0.74 CYP2C19 (0.36) CYP2C19POLBBLMATM

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-9950001-B2 Polynucleotides having bioreversible groups THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-04-24 US disclosed
US-20150238516-A1 POLYNUCLEOTIDES HAVING BIOREVERSIBLE GROUPS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-08-27 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-20150238516-A1 POLYNUCLEOTIDES HAVING BIOREVERSIBLE GROUPS RNASE1, NCL, LNPEP CYP2C19 4723/4885POLB 53/4885BLM 344/4885

“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.