SCHEMBL4369753

SCHEMBL4369753

CNC(C(=O)NC(C(=O)CNC(/C=C(C)/C=C(\C)C(=O)O)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.46
▸ ADAM17 P78536 4/20 0.33
▸ MMP1 P03956 7/20 0.33
▸ MMP13 P45452 3/20 0.33
▸ MMP2 P08253 8/20 0.32
▸ MMP3 P08254 7/20 0.32
▸ MMP8 P22894 1/20 0.32
▸ MMP12 P39900 1/20 0.32
▸ TNF P01375 1/20 0.32

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
SCHEMBL6670498 0.82 TUBB1 (0.49) TUBB1ADAM17MMP1MMP13MMP2
SCHEMBL13660111 0.82 TUBB1 (0.57) TUBB1ADAM17MMP1MMP2MMP3
SCHEMBL6806419 0.82 TUBB1 (0.57) TUBB1ADAM17MMP1MMP2MMP3
SCHEMBL6675640 0.79 TUBB1 (0.39) TUBB1ADAM17MMP1MMP13MMP2
Trifluoroacetic Acid SCHEMBL6805153 0.79 TUBB1 (0.46) TUBB1ADAM17MMP1MMP13MMP2
SCHEMBL13581413 0.79 TUBB1 (0.70) TUBB1ADAM17MMP1MMP2MMP3
SCHEMBL4369755 0.79 TUBB1 (0.70) TUBB1ADAM17MMP1MMP2MMP3
Trifluoroacetic Acid SCHEMBL6810659 0.77 TUBB1 (0.53) TUBB1ADAM17MMP1MMP13MMP2
SCHEMBL6805190 0.75 TUBB1 (0.53) TUBB1ADAM17MMP1MMP13MMP2
Trifluoroacetic Acid SCHEMBL6805281 0.75 TUBB1 (0.36) TUBB1ADAM17MMP1MMP13MMP2

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 588/4885ADAM17 4535/4885MMP1 3418/4885
US-20050037977-A1 Compounds for treating tumors RB1, MRPL9, BCOR TUBB1 588/4885ADAM17 4535/4885MMP1 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.

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