SCHEMBL19862502

SCHEMBL19862502

CC(C)(C)OC(=O)NC(C)(C(=O)O)C(C)(C)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.49
PPARA Q07869 3/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CTSS P25774 3/20 0.44
ALDH1A1 P00352 1/20 0.43
IDO1 P14902 1/20 0.43
AKT1 P31749 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PPARG P37231 2/20 0.42
CTSL P07711 2/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
MAPT P10636 1/20 0.41
KLK7 P49862 1/20 0.41
KLK5 Q9Y337 1/20 0.41

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
SCHEMBL1728479 0.83 SYK (0.53) SYKPPARAMEN1KMT2ACA12
SCHEMBL7216943 0.81 SYK (0.54) SYKPPARAMEN1KMT2ACA12
SCHEMBL7485771 0.81 SYK (0.48) SYKPPARAMEN1KMT2ACA12
SCHEMBL27524219 0.80 SYK (0.50) SYKPPARAMEN1KMT2ACA12
SCHEMBL7434905 0.80 SYK (0.50) SYKPPARAMEN1KMT2ACA12
SCHEMBL8312542 0.80 SYK (0.50) SYKPPARAMEN1KMT2ACA12
SCHEMBL7432755 0.80 SYK (0.53) SYKPPARAMEN1KMT2ACA12
SCHEMBL29291807 0.80 SYK (0.53) SYKPPARAMEN1KMT2ACA12
SCHEMBL21239559 0.80 SYK (0.53) SYKPPARAMEN1KMT2ACA12
SCHEMBL22648245 0.79 SYK (0.49) SYKPPARAMEN1KMT2ACA12

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-20180044375-A1 DEUTERATED EMRICASAN CONCERT PHARMACEUTICALS INC (US) 2018-02-15 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-20180044375-A1 DEUTERATED EMRICASAN TMPRSS15, HPN, CASP3 SYK 3203/4885PPARA 911/4885MEN1 2150/4885

“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.