SCHEMBL3787393

SCHEMBL3787393

CC(C)(C)OC(=O)N[C@@H](c1ccccc1)[C@@H](OCc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.53
ATM Q13315 1/20 0.50
PPARG P37231 4/20 0.48
SLC1A3 P43003 2/20 0.48
SLC1A2 P43004 2/20 0.48
SLC1A1 P43005 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
CTSS P25774 5/20 0.47
SYK P43405 1/20 0.47
CTSK P43235 6/20 0.47
ACE P12821 1/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
PPARD Q03181 2/20 0.43

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
SCHEMBL15458896 1.00 PPARA (0.53) PPARAATMPPARGSLC1A3SLC1A2
SCHEMBL12486609 1.00 PPARA (0.53) PPARAATMPPARGSLC1A3SLC1A2
SCHEMBL12964906 0.87 CYP2C19 (0.52) ATMSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL7099862 0.85 PPARA (0.58) PPARAATMPPARGSLC1A3SLC1A2
SCHEMBL7099865 0.85 PPARA (0.58) PPARAATMPPARGSLC1A3SLC1A2
SCHEMBL15607164 0.84 CTSK (0.46) PPARAATMPPARGCTSSCTSK
SCHEMBL4454869 0.82 CTSK (0.45) PPARAATMPPARGMEN1KMT2A
SCHEMBL27792966 0.82 CTSK (0.45) PPARAATMPPARGMEN1KMT2A
SCHEMBL18427972 0.81 PPARA (0.52) PPARAATMPPARGSLC1A3SLC1A2
SCHEMBL13002887 0.81 SYK (0.49) PPARAATMPPARGCTSSSYK

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829210-B2 Process for preparing docetaxel and its hydrate SHILPA MEDICARE LIMITED (IN) 2014-09-09 US disclosed
US-20140039209-A1 PROCESS FOR PREPARING DOCETAXEL AND ITS HYDRATE SHILPA MEDICARE LIMITED (IN) 2014-02-06 US disclosed
WO-2010024762-A1 PREPARATION OF β-PHENYL-ISOSERINE DERIVATIVES ORGANOCLICK AKTIEBOLAG (SE) 2010-03-04 WO disclosed
US-6114550-A Method for the stereo-selective preparation of a derivative of β-phenyl-isoserine and its use in the preparation of taxane derivatives RHONE-POULENC RORER S.A. (FR) 2000-09-05 US disclosed
US-5726346-A Process for the stereoselective preparation of a β-phenylisoserine derivative and its use for the preparation of taxane derivatives RHONE-POULENC RORER S.A. (FR) 1998-03-10 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-20140039209-A1 PROCESS FOR PREPARING DOCETAXEL AND ITS HYDRATE TXLNA, EBP, CYP8B1 PPARA 1426/4885ATM 1969/4885PPARG 1879/4885

“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.