SCHEMBL4924404

SCHEMBL4924404

CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)C(Cc1ccccc1)C(C)(C)c1ccccc1)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.51
MMP8 P22894 2/20 0.36
MMP1 P03956 2/20 0.35
MMP3 P08254 2/20 0.35
PTPN1 P18031 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTSB P07858 4/20 0.34
CTSL P07711 4/20 0.34
CTSS P25774 3/20 0.34
CTSK P43235 3/20 0.34
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
CTSD P07339 1/20 0.33
MMP9 P14780 1/20 0.33

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
SCHEMBL4924411 1.00 TUBB1 (0.51) TUBB1MMP8MMP1MMP3PTPN1
SCHEMBL4914025 0.92 TUBB1 (0.53) TUBB1MMP8MMP1MMP3SMN1; SMN2
SCHEMBL4914022 0.92 TUBB1 (0.53) TUBB1MMP8MMP1MMP3SMN1; SMN2
SCHEMBL16169530 0.92 TUBB1 (0.53) TUBB1MMP8MMP1MMP3SMN1; SMN2
SCHEMBL4378808 0.89 TUBB1 (0.60) TUBB1MMP8MMP1MMP3MMP9
SCHEMBL4371551 0.89 TUBB1 (0.60) TUBB1MMP8MMP1MMP3MMP9
SCHEMBL4371546 0.89 TUBB1 (0.60) TUBB1MMP8MMP1MMP3MMP9
SCHEMBL4378799 0.89 TUBB1 (0.60) TUBB1MMP8MMP1MMP3MMP9
SCHEMBL4372709 0.89 TUBB1 (0.50) TUBB1MMP1MMP3SMN1; SMN2CTSB
SCHEMBL4372705 0.89 TUBB1 (0.50) TUBB1MMP1MMP3SMN1; SMN2CTSB

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 588/4885MMP8 2931/4885MMP1 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.