SCHEMBL1228024

SCHEMBL1228024

COCCCc1cc(COS(C)(=O)=O)c2ncccc2c1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 15/20 0.41
REN P00797 1/20 0.41
POLB P06746 1/20 0.40
GLO1 Q04760 2/20 0.39
HRH1 P35367 14/20 0.38
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL11942316 0.84 KCNH2 (0.44) KCNH2RENPOLBGLO1HRH1
SCHEMBL1229758 0.77 WDR5 (0.41) POLBGLO1
SCHEMBL1071179 0.76 KCNH2 (0.43) KCNH2RENHRH1
SCHEMBL1229322 0.73 REN (0.34) KCNH2REN
SCHEMBL1228551 0.73 REN (0.33) KCNH2REN
SCHEMBL5847654 0.70 TRPV1 (0.52) KCNH2HRH1TRPV1
SCHEMBL1073071 0.70 REN (0.56) KCNH2RENHRH1
SCHEMBL1228546 0.68 REN (0.39) REN
SCHEMBL4049830 0.67 ALDH1A1 (0.46) KCNH2POLB
SCHEMBL28149455 0.66 CYP1A2 (0.37) POLBGLO1

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-20120190701-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-07-26 US disclosed
WO-2011020193-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2011-02-24 WO 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-20120190701-A1 RENIN INHIBITORS REN, ACE, AGTR1 KCNH2 35/4885REN 1/4885POLB 1650/4885

“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.