SCHEMBL6806045

SCHEMBL6806045

CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](C[C@@H](C)C(=O)O)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.52
ADAM17 P78536 6/20 0.38
MMP1 P03956 4/20 0.38
MMP2 P08253 10/20 0.37
MMP3 P08254 8/20 0.37
ALDH1A1 P00352 1/20 0.36
MMP13 P45452 1/20 0.35
TNF P01375 1/20 0.35

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
SCHEMBL6801068 1.00 TUBB1 (0.52) TUBB1ADAM17MMP1MMP2MMP3
Trifluoroacetic Acid SCHEMBL6805357 0.95 TUBB1 (0.49) TUBB1ADAM17MMP1MMP2MMP3
Trifluoroacetic Acid SCHEMBL6806530 0.95 TUBB1 (0.49) TUBB1ADAM17MMP1MMP2MMP3
SCHEMBL58365 0.88 TUBB1 (0.55) TUBB1ADAM17MMP1MMP2MMP3
SCHEMBL13847979 0.85 TUBB1 (0.55) TUBB1ADAM17MMP1MMP2MMP3
SCHEMBL58456 0.85 TUBB1 (0.55) TUBB1ADAM17MMP1MMP2MMP3
SCHEMBL16176865 0.85 TUBB1 (0.46) TUBB1ADAM17MMP1MMP2MMP3
SCHEMBL16176866 0.85 TUBB1 (0.46) TUBB1ADAM17MMP1MMP2MMP3
SCHEMBL20724004 0.85 TUBB1 (0.46) TUBB1ADAM17MMP1MMP2MMP3
SCHEMBL16176864 0.85 TUBB1 (0.46) TUBB1ADAM17MMP1MMP2MMP3

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 2 patents. 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 claimed
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 199/4885ADAM17 1762/4885MMP1 482/4885

“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.