SCHEMBL6801949

SCHEMBL6801949

CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)NCCc1ccccc1)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.62
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MMP2 P08253 14/20 0.38
▸ MMP3 P08254 7/20 0.38
▸ MMP1 P03956 2/20 0.37
▸ OPRK1 P41145 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP14 P50281 1/20 0.36

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
SCHEMBL58638 0.92 TUBB1 (0.63) TUBB1ALDH1A1SMN1; SMN2MMP2MMP3
SCHEMBL6802822 0.90 TUBB1 (0.61) TUBB1ALDH1A1MMP1
SCHEMBL6802182 0.90 TUBB1 (0.64) TUBB1MMP2MMP3MMP1
SCHEMBL24574688 0.88 TUBB1 (0.59) TUBB1MMP2MMP3MMP1MMP9
SCHEMBL57908 0.88 TUBB1 (0.69) TUBB1MMP2MMP3MMP1MMP9
SCHEMBL6675641 0.88 TUBB1 (0.69) TUBB1MMP2MMP3MMP1MMP9
SCHEMBL16176309 0.88 TUBB1 (0.58) TUBB1MMP2MMP3MMP1MMP9
SCHEMBL16176313 0.88 TUBB1 (0.58) TUBB1MMP2MMP3MMP1MMP9
SCHEMBL16176311 0.88 TUBB1 (0.58) TUBB1MMP2MMP3MMP1MMP9
SCHEMBL19282582 0.88 TUBB1 (0.58) TUBB1MMP2MMP3MMP1MMP9

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 199/4885NPC1 598/4885ALDH1A1 612/4885

“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.

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