SCHEMBL6799864

SCHEMBL6799864

CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](NC)C(C)(C)c1cccc(C(F)(F)F)c1)C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.57
GAA P10253 4/20 0.39
MAPT P10636 4/20 0.39
ALOX12 P18054 2/20 0.39
ATM Q13315 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
THRB P10828 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PABPC1 P11940 1/20 0.31

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
SCHEMBL6801981 1.00 TUBB1 (0.57) TUBB1GAAMAPTALOX12ATM
SCHEMBL6671195 0.93 TUBB1 (0.58) TUBB1GAAMAPTALOX12ATM
SCHEMBL6672752 0.93 TUBB1 (0.58) TUBB1GAAMAPTALOX12ATM
SCHEMBL6670790 0.93 TUBB1 (0.59) TUBB1GAAMAPTALOX12ATM
SCHEMBL6671669 0.93 TUBB1 (0.59) TUBB1GAAMAPTALOX12ATM
SCHEMBL6683068 0.92 TUBB1 (0.57) TUBB1GAAMAPTALOX12ATM
SCHEMBL6802274 0.92 TUBB1 (0.57) TUBB1GAAMAPTALOX12ATM
SCHEMBL6810332 0.92 TUBB1 (0.58) TUBB1GAAMAPTALOX12ATM
SCHEMBL6810329 0.92 TUBB1 (0.58) TUBB1GAAMAPTALOX12ATM
SCHEMBL6805837 0.91 TUBB1 (0.57) TUBB1GAAMAPTALOX12ATM

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-20040121965-A1 Method of treating resistant tumors WYETH HOLDINGS CORPORATION (US) 2004-06-24 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-20040121965-A1 Method of treating resistant tumors SLC11A2, VHL, REN TUBB1 199/4885GAA 328/4885MAPT 4461/4885

“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.