SCHEMBL21865729

SCHEMBL21865729

COC(=O)[C@@](C)(O)NCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.45
PPARA Q07869 4/20 0.44
MAPK14 Q16539 1/20 0.43
FFAR1 O14842 1/20 0.43
MTOR P42345 1/20 0.43
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
ALDH1A1 P00352 1/20 0.41
EPHX2 P34913 2/20 0.41
PPARG P37231 2/20 0.41
MAOB P27338 1/20 0.40
GAA P10253 1/20 0.40
CYP3A4 P08684 1/20 0.40
PPARD Q03181 1/20 0.40

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
SCHEMBL16839906 0.84 LSS (0.44) LSSPPARAMAPK14FFAR1MTOR
SCHEMBL21865601 0.79 P2RX7 (0.42) LSSMAPK14FFAR1MTORALDH1A1
SCHEMBL12233642 0.75 ALDH1A1 (0.51) LSSFFAR1MTORHDAC3HDAC1
SCHEMBL3093268 0.74 FFAR1 (0.47) PPARAFFAR1HDAC1HDAC8EPHX2
SCHEMBL1625320 0.73 CNR1 (0.47) EPHX2
SCHEMBL3169504 0.73 EPHX2 (0.47) HDAC3HDAC1HDAC2HDAC6HDAC10
SCHEMBL16839667 0.72 PPARA (0.42) LSSPPARAMAPK14FFAR1MTOR
SCHEMBL13993814 0.72 LSS (0.47) LSSPPARAMAPK14FFAR1MTOR
SCHEMBL16839793 0.71 PPARG (0.48) LSSEPHX2PPARG
SCHEMBL4574985 0.71 LSS (0.52) LSSPPARAMAPK14MTORHDAC3

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-11414424-B2 Cardiac sarcomere inhibitors CYTOKINETICS, INC. (US) 2022-08-16 US disclosed
US-20200109148-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2020-04-09 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 (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-11414424-B2 Cardiac sarcomere inhibitors TNNI3, MYLK2, TNNT2 LSS 3533/4885PPARA 4145/4885MAPK14 2201/4885
US-20200109148-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, MYLK2, TNNT2 LSS 3533/4885PPARA 4145/4885MAPK14 2201/4885

“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.