SCHEMBL1229322

SCHEMBL1229322

COCCCc1cc(C)c(C)c(COS(C)(=O)=O)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.34
CYP3A4 P08684 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MMP9 P14780 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
DAO P14920 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
SCHEMBL1229722 0.92 ALDH1A1 (0.30) ALDH1A1
SCHEMBL1228551 0.81 REN (0.33) RENCYP3A4KCNH2KDM4EUSP2
SCHEMBL11942310 0.81 REN (0.37) RENCYP3A4KCNH2KDM4EALDH1A1
SCHEMBL1229578 0.76 SHBG (0.40) RENCYP3A4KCNH2DAO
SCHEMBL1228024 0.73 KCNH2 (0.41) RENKCNH2
SCHEMBL1518881 0.72 KDM4E (0.38) RENCYP3A4KCNH2KDM4EALDH1A1
SCHEMBL11942309 0.71 TAS1R3 (0.34) RENKDM4EALDH1A1
SCHEMBL15262553 0.70 ALDH1A1 (0.45) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL30173751 0.67 KDM4E (0.50) KDM4EUSP2ALDH1A1LMNAMMP9
SCHEMBL1228162 0.67 ALDH1A1 (0.39) KDM4EALDH1A1LMNAALOX15TSHR

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 REN 1/4885CYP3A4 908/4885KCNH2 35/4885

“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.