SCHEMBL6675640

SCHEMBL6675640

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.39
▸ PRCP P42785 3/20 0.37
▸ MMP2 P08253 8/20 0.36
▸ MMP3 P08254 6/20 0.36
▸ ADAM17 P78536 3/20 0.36
▸ MMP1 P03956 3/20 0.36
▸ TNF P01375 1/20 0.36
▸ MME P08473 1/20 0.35
▸ OPRD1 P41143 2/20 0.33
▸ BMP1 P13497 1/20 0.32
▸ MMP13 P45452 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
Trifluoroacetic Acid SCHEMBL6805281 0.95 TUBB1 (0.36) TUBB1PRCPMMP2MMP3ADAM17
SCHEMBL4369753 0.79 TUBB1 (0.46) TUBB1MMP2MMP3ADAM17MMP1
SCHEMBL6673935 0.78 TUBB1 (0.62) TUBB1PRCPMMP2MMP3ADAM17
SCHEMBL6806372 0.78 TUBB1 (0.62) TUBB1PRCPMMP2MMP3ADAM17
SCHEMBL6673008 0.78 TUBB1 (0.62) TUBB1PRCPMMP2MMP3ADAM17
SCHEMBL6675645 0.78 TUBB1 (0.62) TUBB1PRCPMMP2MMP3ADAM17
Trifluoroacetic Acid SCHEMBL6805284 0.74 TUBB1 (0.58) TUBB1PRCPMMP2MMP3ADAM17
SCHEMBL6670498 0.74 TUBB1 (0.49) TUBB1MMP2MMP3ADAM17MMP1
SCHEMBL13660111 0.72 TUBB1 (0.57) TUBB1MMP2MMP3ADAM17MMP1
SCHEMBL6806419 0.72 TUBB1 (0.57) TUBB1MMP2MMP3ADAM17MMP1

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 4 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
WO-2004026293-A2 HEMIASTERLIN DERIVATIVES FOR TREATING RESISTANT TUMORS WYETH HOLDINGS CORPORATION (US) 2004-04-01 — — WO claimed
US-20040121965-A1 Method of treating resistant tumors WYETH HOLDINGS CORPORATION (US) 2004-06-24 — — US disclosed
WO-2004026293-A2 HEMIASTERLIN DERIVATIVES FOR TREATING RESISTANT TUMORS WYETH HOLDINGS CORPORATION (US) 2004-04-01 — — WO 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 199/4885PRCP 212/4885MMP2 224/4885

“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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