SCHEMBL4374034

SCHEMBL4374034

CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)C(C)C)C(C)(C)C)C(C)(C)c1cccc(C)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.46
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ USP2 O75604 1/20 0.36
▸ TACR1 P25103 2/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ F2 P00734 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ APP P05067 2/20 0.34

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 SCHEMBL4372672 0.97 TUBB1 (0.44) TUBB1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL4365733 0.96 TUBB1 (0.48) TUBB1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL4366643 0.95 TUBB1 (0.51) TUBB1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL4366652 0.95 TUBB1 (0.51) TUBB1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL4368768 0.94 TUBB1 (0.48) TUBB1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL4374039 0.88 TUBB1 (0.48) TUBB1
SCHEMBL4371716 0.88 TUBB1 (0.54) TUBB1GAAALDH1A1
Trifluoroacetic Acid SCHEMBL4372676 0.85 TUBB1 (0.45) TUBB1TACR1
SCHEMBL4364705 0.85 TUBB1 (0.54) TUBB1CYP3A4CYP2C9CYP2C19GAA
Trifluoroacetic Acid SCHEMBL4852391 0.85 TUBB1 (0.51) 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 588/4885CYP3A4 3441/4885CYP2C9 1243/4885
US-20050037977-A1 Compounds for treating tumors RB1, MRPL9, BCOR TUBB1 588/4885CYP3A4 3441/4885CYP2C9 1243/4885

“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.

Send feedback