SCHEMBL6286884

SCHEMBL6286884

CC(C)(C)OC(=O)NCCCC[C@](N)(C(=O)Nc1ccc(C(c2ccc(NC(=O)[C@@](N)(CCCCNC(=O)OC(C)(C)C)C(=O)c3cccnc3)cc2)c2ccc(NC(=O)[C@@](N)(CCCCNC(=O)OC(C)(C)C)C(=O)c3cccnc3)cc2)cc1)C(=O)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.45
STING1 Q86WV6 1/20 0.44
NAMPT P43490 2/20 0.43
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
TP53 P04637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
BCL2 P10415 1/20 0.37
TGM2 P21980 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL6283057 0.89 CA1 (0.42) NAMPTNPSR1CA1CA2KDM4E
SCHEMBL6285777 0.86 CYP3A4 (0.50) CYP3A4STING1NAMPTNPSR1CA1
Hydrochloric Acid SCHEMBL6288039 0.83 RAB9A (0.44) RAB9ANPC1SMN1; SMN2TP53NPSR1
SCHEMBL6287650 0.81 CA1 (0.43) NAMPTNPSR1CA1CA2MAPT
SCHEMBL6284054 0.80 RAB9A (0.42) NAMPTRAB9ANPC1SMN1; SMN2CA1
SCHEMBL6291032 0.77 CA1 (0.39) NAMPTNPSR1CA1CA2KDM4E
SCHEMBL6287122 0.76 CA1 (0.41) NAMPTCA1CA2KDM4EMAPT
SCHEMBL6290355 0.75 CTSS (0.46) KDM4EMAPT
SCHEMBL6287033 0.75 CA1 (0.48) NAMPTNPSR1CA1CA2MAPT
SCHEMBL6290320 0.75 CA1 (0.39) NAMPTRAB9ANPC1NPSR1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887890-B2 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-05-03 US disclosed
US-20030162724-A1 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-08-28 US disclosed
EP-1291341-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN-LIKE ACTIVITIES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-12 EP 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-20030162724-A1 Compounds exhibiting thrombopoietin-like activities MPL, THPO, TEK CYP3A4 3260/4885STING1 1570/4885NAMPT 3005/4885

“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.