SCHEMBL1229784

SCHEMBL1229784

COc1cccc(COS(C)(=O)=O)c1OC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA14 Q9ULX7 1/20 0.52
ABCB1 P08183 4/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
CRHBP P24387 1/20 0.42
MAPK1 P28482 1/20 0.42
CRHR2 Q13324 1/20 0.42

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
SCHEMBL8317665 0.85 KDM4E (0.47) CA12CA1CA2CA14SMN1; SMN2
SCHEMBL2207149 0.84 IDO1 (0.56) CA12CA1CA2CA14ABCB1
SCHEMBL9510381 0.84 CA12 (0.57) CA12CA1CA2CA14ABCB1
SCHEMBL25380681 0.83 NR3C1 (0.41) CA12CA1CA2CA14SMN1; SMN2
SCHEMBL30996444 0.83 NR3C1 (0.41) CA12CA1CA2CA14SMN1; SMN2
SCHEMBL1235252 0.83 ABCB1 (0.41) CA12CA1CA2CA14ABCB1
SCHEMBL921944 0.82 ALKBH1 (0.40) CA12CA1CA2CA14SMN1; SMN2
Alcohol SCHEMBL7237276 0.80 IDO1 (0.51) CA12CA1CA2CA14ABCB1
SCHEMBL7538117 0.79 LMNA (0.48) CA12CA1CA2CA14ABCB1
SCHEMBL4369269 0.78 ABCB1 (0.57) CA12CA1CA2CA14ABCB1

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 3 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
EP-2467385-A1 RENIN INHIBITORS Merck Canada Inc. (CA) 2012-06-27 EP 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 CA12 4007/4885CA1 2863/4885CA2 651/4885

“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.