SCHEMBL661763

SCHEMBL661763

COC(=O)[C@H](CC=O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
CA14 Q9ULX7 3/20 0.38
CA12 O43570 2/20 0.38
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
TSHR P16473 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ZDHHC7 Q9NXF8 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
SCHEMBL187910 1.00 SMN1; SMN2 (0.43) SMN1; SMN2CA14CA12KMT2AMEN1
SCHEMBL490446 1.00 SMN1; SMN2 (0.43) SMN1; SMN2CA14CA12KMT2AMEN1
SCHEMBL5606099 0.91 SMN1; SMN2 (0.39) SMN1; SMN2CA14CA12KMT2AMEN1
SCHEMBL8090761 0.84 SMN1; SMN2 (0.44) SMN1; SMN2CA14CA12KMT2AMEN1
SCHEMBL11302194 0.81 TSHR (0.35) SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL2336327 0.80 KMT2A (0.45) SMN1; SMN2CA14CA12KMT2AMEN1
SCHEMBL8420441 0.80 KMT2A (0.45) SMN1; SMN2CA14CA12KMT2AMEN1
SCHEMBL2738378 0.80 ALDH1A1 (0.39) SMN1; SMN2
SCHEMBL4867613 0.79
SCHEMBL30415488 0.79 SMN1; SMN2 (0.39) SMN1; SMN2CA14CA12KMT2AMEN1

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-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 SMN1; SMN2 4657/4885CA14 4312/4885CA12 4300/4885

“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.