SCHEMBL4368415

SCHEMBL4368415

CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)NCc1ccc(-c2ccccc2)cc1)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.60
▸ MMP2 P08253 7/20 0.36
▸ MMP3 P08254 4/20 0.36
▸ BACE1 P56817 1/20 0.35
▸ CTSB P07858 5/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ ADAM17 P78536 1/20 0.33
▸ CTSL P07711 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ RORC P51449 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
SCHEMBL58638 0.95 TUBB1 (0.63) TUBB1MMP2MMP3CTSBADAM17
SCHEMBL58682 0.93 TUBB1 (0.61) TUBB1MMP2MMP3CTSBADAM17
SCHEMBL6801949 0.87 TUBB1 (0.62) TUBB1MMP2MMP3
SCHEMBL6802182 0.87 TUBB1 (0.64) TUBB1MMP2MMP3ADAM17
SCHEMBL6670834 0.86 TUBB1 (0.78) TUBB1MMP2MMP3CTSB
SCHEMBL57908 0.86 TUBB1 (0.69) TUBB1MMP2MMP3ADAM17
SCHEMBL6675641 0.86 TUBB1 (0.69) TUBB1MMP2MMP3ADAM17
SCHEMBL4367059 0.85 TUBB1 (0.68) TUBB1MMP2MMP3ADAM17
SCHEMBL4367047 0.85 TUBB1 (0.68) TUBB1MMP2MMP3ADAM17
SCHEMBL19282586 0.85 TUBB1 (0.59) TUBB1MMP2MMP3ADAM17

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005016958-A2 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2005-02-24 — — WO claimed
US-20050037977-A1 Compounds for treating tumors WYETH HOLDINGS CORPORATION (US) 2005-02-17 — — US claimed
US-7626023-B2 Compounds for treating tumors WYETH (US) 2009-12-01 — — US disclosed
US-20080221181-A1 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2008-09-11 — — US disclosed
US-7390910-B2 Compounds for treating tumors WYETH (US) 2008-06-24 — — US disclosed
WO-2005016958-A2 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2005-02-24 — — WO disclosed
US-20050037977-A1 Compounds for treating tumors WYETH HOLDINGS CORPORATION (US) 2005-02-17 — — 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 (2 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 588/4885MMP2 2521/4885MMP3 3140/4885
US-20050037977-A1 Compounds for treating tumors RB1, MRPL9, BCOR TUBB1 588/4885MMP2 2521/4885MMP3 3140/4885

“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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