SCHEMBL4914022

SCHEMBL4914022

CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)C(CC)C(C)(C)c1ccccc1)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.53
STAT6 P42226 3/20 0.33
MMP1 P03956 3/20 0.33
MMP3 P08254 3/20 0.33
CTSL P07711 3/20 0.33
CTSB P07858 3/20 0.33
CTSS P25774 3/20 0.33
CTSK P43235 3/20 0.33
MMP2 P08253 1/20 0.33
KCNH2 Q12809 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 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
SCHEMBL16169530 1.00 TUBB1 (0.53) TUBB1STAT6MMP1MMP3CTSL
SCHEMBL4914025 1.00 TUBB1 (0.53) TUBB1STAT6MMP1MMP3CTSL
SCHEMBL26607411 0.93 TUBB1 (0.53) TUBB1CTSLCTSB
SCHEMBL4924411 0.92 TUBB1 (0.51) TUBB1MMP1MMP3CTSLCTSB
SCHEMBL4924404 0.92 TUBB1 (0.51) TUBB1MMP1MMP3CTSLCTSB
SCHEMBL4372705 0.91 TUBB1 (0.50) TUBB1STAT6MMP1MMP3CTSL
SCHEMBL4372709 0.91 TUBB1 (0.50) TUBB1STAT6MMP1MMP3CTSL
SCHEMBL4370499 0.91 TUBB1 (0.54) TUBB1STAT6MMP1MMP3CTSL
SCHEMBL4370496 0.91 TUBB1 (0.54) TUBB1STAT6MMP1MMP3CTSL
SCHEMBL4924628 0.90 TUBB1 (0.54) TUBB1STAT6MMP1MMP3CTSL

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-20080221181-A1 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2008-09-11 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-20080221181-A1 COMPOUNDS FOR TREATING TUMORS RB1, MRPL9, BCOR TUBB1 588/4885STAT6 972/4885MMP1 3418/4885

“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.