SCHEMBL4376460

SCHEMBL4376460

CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCC[C@H]1C(=O)O)C(C)C)C(C)(C)C)C(C)(C)C1CCCCC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.76
REN P00797 4/20 0.32
ACE P12821 6/20 0.31
KDM4E B2RXH2 1/20 0.31
F2 P00734 1/20 0.31
LMNA P02545 1/20 0.31
LTA4H P09960 1/20 0.31
MAPT P10636 1/20 0.31
PEPD P12955 1/20 0.31
ALOX15 P16050 1/20 0.31
PTGS1 P23219 1/20 0.31
HTR2A P28223 1/20 0.31
PTGS2 P35354 1/20 0.31
HRH1 P35367 1/20 0.31
THPO P40225 1/20 0.31
PMP22 Q01453 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ACE2 Q9BYF1 1/20 0.31
STAT6 P42226 2/20 0.31
BIRC2 Q13490 2/20 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
SCHEMBL4374127 0.92 TUBB1 (0.71) TUBB1PEPDSTAT6BIRC2XIAP
SCHEMBL22309221 0.87 TUBB1 (1.00) TUBB1
SCHEMBL20732343 0.87 TUBB1 (1.00) TUBB1
SCHEMBL6674633 0.87 TUBB1 (1.00) TUBB1
SCHEMBL22308460 0.87 TUBB1 (1.00) TUBB1
SCHEMBL58688 0.85 TUBB1 (0.59) TUBB1ACESTAT6BIRC2XIAP
SCHEMBL4371827 0.85 TUBB1 (0.55) TUBB1STAT6BIRC2XIAPBIRC3
SCHEMBL4368595 0.85 TUBB1 (0.59) TUBB1ACESTAT6BIRC2XIAP
SCHEMBL4371788 0.84 TUBB1 (0.57) TUBB1ACELTA4HSTAT6BIRC2
SCHEMBL4366570 0.82 TUBB1 (0.56) TUBB1ACEACE2STAT6BIRC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390910-B2 Compounds for treating tumors WYETH (US) 2008-06-24 US claimed
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
US-20050042178-A1 Microparticles containing the CGRP-antagonist 1-[N2-[3,5-dibrom-N-[[4-(3,4-dihydro-2(1H)-oxoquinazoline-3-yl)-1-piperidinyl]carbonyl]-D-tyrosyl]-L-lysyl]-4-(4-pyridinyl)-piperazine, process for preparing and the use thereof as inhalation powder BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-24 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 (3 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 588/4885REN 708/4885ACE 3759/4885
US-20050037977-A1 Compounds for treating tumors RB1, MRPL9, BCOR TUBB1 588/4885REN 708/4885ACE 3759/4885
US-20050042178-A1 Microparticles containing the CGRP-antagonist 1-[N2-[3,5-dibrom-N-[[4-(3,4-dihydro-2(1H)-oxoquinazoline-3-yl)-1-piperidinyl]carbonyl]-D-tyrosyl]-L-lysyl]-4-(4-pyridinyl)-piperazine, process for preparing and the use thereof as inhalation powder NPY5R, NPY1R, NPY2R TUBB1 1647/4885REN 2093/4885ACE 1152/4885

“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.