SCHEMBL557191

SCHEMBL557191

COC[C@H](C)COCc1ccc([C@@]2(O)CCN(C(=O)OC(C)(C)C)C[C@@H]2c2ccc(-c3ccccc3CCNC(=O)CO)cc2C)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.63
KCNH2 Q12809 6/20 0.63
CYP3A4 P08684 1/20 0.45
TACR1 P25103 1/20 0.33
ALK Q9UM73 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
YAP1 P46937 1/20 0.31
GPR119 Q8TDV5 4/20 0.31
DGAT2 Q96PD7 1/20 0.31
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
USP30 Q70CQ3 1/20 0.30
KAT7 O95251 1/20 0.30
KAT8 Q9H7Z6 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
SCHEMBL557670 0.94 REN (0.64) RENKCNH2CYP3A4TACR1ALK
SCHEMBL556610 0.93 REN (0.64) RENKCNH2CYP3A4TACR1ALK
SCHEMBL556137 0.92 REN (0.62) RENKCNH2CYP3A4TACR1ALK
SCHEMBL556555 0.91 REN (0.59) RENKCNH2CYP3A4TACR1ALK
SCHEMBL556433 0.91 REN (0.60) RENKCNH2CYP3A4TACR1ALK
SCHEMBL556596 0.86 REN (0.54) RENKCNH2CYP3A4TACR1ALK
SCHEMBL556537 0.84 KCNH2 (0.72) RENKCNH2CYP3A4TACR1ALK
SCHEMBL556072 0.84 REN (0.88) RENKCNH2CYP3A4
SCHEMBL557192 0.83 REN (0.59) RENKCNH2CYP3A4
SCHEMBL556647 0.78 REN (0.73) RENKCNH2CYP3A4ALK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 REN 1/4885KCNH2 1198/4885CYP3A4 766/4885

“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.