SCHEMBL19006444

SCHEMBL19006444

COC(=O)[C@H](C#N)[C@H](C)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP7 P55210 1/20 0.36
CA14 Q9ULX7 2/20 0.35
CA12 O43570 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
ANPEP P15144 2/20 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
SCHEMBL6930982 1.00 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1TSHRMAPK1CASP7
SCHEMBL6930988 1.00 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1TSHRMAPK1CASP7
SCHEMBL6930984 1.00 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1TSHRMAPK1CASP7
SCHEMBL7527654 0.84 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1TSHRMAPK1CASP7
SCHEMBL13389706 0.80 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1TSHRMAPK1CASP7
SCHEMBL6928048 0.80 TSHR (0.37) ALDH1A1TSHRMAPK1KDM4E
SCHEMBL6928056 0.80 TSHR (0.37) ALDH1A1TSHRMAPK1KDM4E
SCHEMBL6928051 0.80 TSHR (0.37) ALDH1A1TSHRMAPK1KDM4E
SCHEMBL6925024 0.78 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1TSHRMAPK1KDM4E
SCHEMBL6925027 0.78 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1TSHRMAPK1KDM4E

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-10030027-B2 Soluble guanylate cyclase stimulators MERCK SHARP & DOHME CORP. (US) 2018-07-24 US disclosed
US-20170174693-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS MERCK SHARP & DOHME LLC 2017-06-22 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 (2 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-20170174693-A1 SOLUBLE GUANYLATE CYCLASE STIMULATORS GUCY1A1, GUCY1A2, PDE2A SMN1; SMN2 1852/4885ALDH1A1 2472/4885TSHR 379/4885
US-10030027-B2 Soluble guanylate cyclase stimulators GUCY1A1, GUCY1A2, PDE2A SMN1; SMN2 1852/4885ALDH1A1 2472/4885TSHR 379/4885

“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.