SCHEMBL4374151

SCHEMBL4374151

CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCN(C)CC1)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.61
CTSB P07858 1/20 0.33
TSHR P16473 1/20 0.32
CHRM1 P11229 4/20 0.31
HPGD P15428 3/20 0.31
MAPT P10636 2/20 0.31
CTSL P07711 1/20 0.31
CNR2 P34972 1/20 0.31
STAT6 P42226 2/20 0.31
LMNA P02545 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
CHRM3 P20309 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
XIAP P98170 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL58347 0.93 TUBB1 (0.63) TUBB1CNR2STAT6
SCHEMBL4368400 0.92 TUBB1 (0.54) TUBB1TSHR
SCHEMBL57909 0.91 TUBB1 (0.61) TUBB1CNR2
SCHEMBL88733 0.91 TUBB1 (0.61) TUBB1CNR2
SCHEMBL4373023 0.91 TUBB1 (0.61) TUBB1CNR2
SCHEMBL4377503 0.91 TUBB1 (0.56) TUBB1
SCHEMBL4366902 0.90 TUBB1 (0.59) TUBB1TSHRMAPTLMNAALDH1A1
Trifluoroacetic Acid SCHEMBL4367415 0.89 TUBB1 (0.52) TUBB1TSHRHPGDMAPTLMNA
SCHEMBL4369934 0.89 TUBB1 (0.57) TUBB1
SCHEMBL4366513 0.89 TUBB1 (0.55) TUBB1CNR2

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
US-7626023-B2 Compounds for treating tumors WYETH (US) 2009-12-01 US claimed
US-20080221181-A1 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2008-09-11 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 588/4885CTSB 1060/4885TSHR 814/4885
US-20050037977-A1 Compounds for treating tumors RB1, MRPL9, BCOR TUBB1 588/4885CTSB 1060/4885TSHR 814/4885

“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.