SCHEMBL4370474

SCHEMBL4370474

CN[C@@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCOCC1)C(C)C)C(C)(C)C)C(C)(C)c1cc(C)cc(C)c1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.55
CNR2 P34972 1/20 0.31
LMNA P02545 1/20 0.30
MMP1 P03956 1/20 0.30
ADAM17 P78536 1/20 0.30

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
SCHEMBL4370881 1.00 TUBB1 (0.55) TUBB1CNR2LMNAMMP1ADAM17
SCHEMBL4371556 0.93 TUBB1 (0.53) TUBB1CNR2LMNA
SCHEMBL4368741 0.92 TUBB1 (0.56) TUBB1CNR2
SCHEMBL4370830 0.92 TUBB1 (0.56) TUBB1CNR2
SCHEMBL57909 0.91 TUBB1 (0.61) TUBB1CNR2
SCHEMBL4373023 0.91 TUBB1 (0.61) TUBB1CNR2
SCHEMBL88733 0.91 TUBB1 (0.61) TUBB1CNR2
SCHEMBL4377503 0.91 TUBB1 (0.56) TUBB1
SCHEMBL4372569 0.84 TUBB1 (0.55) TUBB1LMNA
SCHEMBL22307888 0.84 TUBB1 (0.75) TUBB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 588/4885CNR2 1949/4885LMNA 2720/4885
US-20050037977-A1 Compounds for treating tumors RB1, MRPL9, BCOR TUBB1 588/4885CNR2 1949/4885LMNA 2720/4885

“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.