SCHEMBL16859618

SCHEMBL16859618

CCOC(=O)C([C@H](O)C=Cc1ccc(C)cc1)N(NC(=O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
CTDSP1 Q9GZU7 1/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
DHODH Q02127 1/20 0.36
MAOB P27338 1/20 0.36
PTPN1 P18031 1/20 0.35
AURKA O14965 1/20 0.35
NTRK1 P04629 1/20 0.35
RAB9A P51151 3/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL16859617 1.00 LMNA (0.37) LMNACTDSP1CYP2C9CYP2C19CYP3A4
SCHEMBL17072207 0.82 AKT1 (0.35) LMNACTDSP1CYP2C9CYP2C19CYP3A4
SCHEMBL17072206 0.82 AKT1 (0.35) LMNACTDSP1CYP2C9CYP2C19CYP3A4
SCHEMBL17072205 0.82 AKT1 (0.35) LMNACTDSP1CYP2C9CYP2C19CYP3A4
SCHEMBL31376558 0.79 CYP2C9 (0.45) LMNACTDSP1CYP2C9CYP2C19CYP3A4
SCHEMBL16859608 0.79 CYP3A4 (0.41) LMNACYP2C9CYP2C19CYP3A4RAB9A
SCHEMBL16859610 0.79 CYP3A4 (0.41) LMNACYP2C9CYP2C19CYP3A4RAB9A
SCHEMBL17080643 0.74 CTDSP1 (0.35) LMNACTDSP1CYP2C9CYP2C19CYP3A4
SCHEMBL16865359 0.74 CTDSP1 (0.35) LMNACTDSP1CYP2C9CYP2C19CYP3A4
SCHEMBL16865338 0.74 CTDSP1 (0.35) LMNACTDSP1CYP2C9CYP2C19CYP3A4

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-20150184206-A1 SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO UNIVERSITY OF ALASKA FAIRBANKS 2015-07-02 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-20150184206-A1 SYNTHETIC METHODS AND COMPOUNDS RELATED THERETO LSS, CYP51A1, FASN LMNA 1365/4885CTDSP1 1993/4885CYP2C9 385/4885

“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.