SCHEMBL6290636

SCHEMBL6290636

CC(C)(C)OC(=O)CC[C@H](N)C(=O)Nc1ccc(C(c2ccc(NC(=O)[C@@H](N)CCC(=O)OC(C)(C)C)cc2)c2ccc(NC(=O)[C@@H](N)CCC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.45
S1PR3 Q99500 4/20 0.45
LTA4H P09960 7/20 0.44
SPHK1 Q9NYA1 4/20 0.40
SPHK2 Q9NRA0 1/20 0.40
HDAC8 Q9BY41 1/20 0.38
BMX P51813 1/20 0.38
S1PR4 O95977 2/20 0.37
S1PR5 Q9H228 2/20 0.37
S1PR2 O95136 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37

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
SCHEMBL6286634 0.87 S1PR1 (0.43) S1PR1S1PR3LTA4HSPHK1SPHK2
SCHEMBL29307826 0.86 SPHK1 (0.47) S1PR1S1PR3LTA4HSPHK1SPHK2
SCHEMBL18921010 0.86 SPHK1 (0.47) S1PR1S1PR3LTA4HSPHK1SPHK2
SCHEMBL18921008 0.86 SPHK1 (0.47) S1PR1S1PR3LTA4HSPHK1SPHK2
SCHEMBL6287916 0.80 CA1 (0.48) LTA4HSPHK1
SCHEMBL6287020 0.80 CA1 (0.48) LTA4HSPHK1
SCHEMBL6286723 0.79 LTA4H (0.47) S1PR1S1PR3LTA4HSPHK1SPHK2
SCHEMBL7136775 0.78 HPGD (0.46) S1PR1S1PR3LTA4HAAK1
SCHEMBL7740801 0.77 SLC1A1 (0.36) S1PR1S1PR3LTA4HHDAC8
SCHEMBL10078349 0.77 SLC1A1 (0.36) S1PR1S1PR3LTA4HHDAC8

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 S1PR1 1281/4885S1PR3 1632/4885LTA4H 1938/4885

“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.