SCHEMBL29992146

SCHEMBL29992146

CCOC(=O)N[C@H](COc1ccc(Cl)c(F)c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
ATF4 P18848 10/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 1/20 0.41
FFAR1 O14842 1/20 0.41
SLC6A4 P31645 1/20 0.40
TSHR P16473 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
MCL1 Q07820 1/20 0.39
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL8121605 0.77 RAB9A (0.44) SMN1; SMN2LMNA
SCHEMBL8117484 0.77 RAB9A (0.44) SMN1; SMN2LMNA
SCHEMBL29991952 0.75 PPARG (0.44) PPARGPPARAATF4SLC6A4HRH3
SCHEMBL17492067 0.75 PTPN1 (0.54) PPARGPPARA
SCHEMBL17492064 0.75 PTPN1 (0.54) PPARGPPARA
SCHEMBL903866 0.74 GAA (0.53) PPARGPPARAATF4SMN1; SMN2MAPK1
SCHEMBL2010983 0.71 NQO1 (0.50) PPARGPPARAATF4FFAR1SLC6A4
SCHEMBL6921131 0.71 FFAR1 (0.43) PPARGPPARAATF4SMN1; SMN2FFAR1
Hydrochloric Acid SCHEMBL27606387 0.71 SMN1; SMN2 (0.51) SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL17065529 0.69 ITGB3 (0.53)

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-20220332708-A1 SULFONAMIDE COMPOUNDS AS CARDIAC SARCOMERE ACTIVATORS CYTOKINETICS INC (US) 2022-10-20 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-20220332708-A1 SULFONAMIDE COMPOUNDS AS CARDIAC SARCOMERE ACTIVATORS TNNT2, TNNI3, MYLK2 PPARG 1761/4885PPARA 1130/4885ATF4 185/4885

“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.