SCHEMBL6286285

SCHEMBL6286285

NCCCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1ccc(C(OC(=O)C(F)(F)F)(c2ccc(NC(=O)[C@@H](CCCCN)NC(=O)Cc3ccccc3)cc2)c2ccc(NC(=O)[C@@H](CCCCN)NC(=O)Cc3ccccc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.46
CALCRL Q16602 1/20 0.45
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
RORC P51449 2/20 0.42
RORA P35398 1/20 0.42
S1PR1 P21453 1/20 0.42
PLG P00747 1/20 0.42
SSTR3 P32745 1/20 0.41
CHRNA1 P02708 4/20 0.41
CHRNG P07510 4/20 0.41
CHRNB1 P11230 4/20 0.41
CHRND Q07001 4/20 0.41
HDAC4 P56524 4/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41

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
SCHEMBL6288024 1.00 LTA4H (0.46) LTA4HCALCRLGRIN1GRIN2AITGB3
SCHEMBL6286266 0.88 KLKB1 (0.37) LTA4HCALCRLS1PR1PLGSSTR3
SCHEMBL6287798 0.88 HDAC4 (0.48) LTA4HGRIN1GRIN2APLGHDAC4
SCHEMBL6290920 0.88 HDAC4 (0.48) LTA4HGRIN1GRIN2APLGHDAC4
Methane SCHEMBL7035305 0.87 LTA4H (0.49) LTA4HCALCRLGRIN1GRIN2AITGB3
SCHEMBL6290843 0.84 LMNA (0.46) HDAC4HDAC3HDAC1HDAC7HDAC2
Trifluoroacetic Acid SCHEMBL6286278 0.83 CALCRL (0.47) LTA4HCALCRLGRIN1GRIN2AITGB3
Trifluoroacetic Acid SCHEMBL6288016 0.83 CALCRL (0.47) LTA4HCALCRLGRIN1GRIN2AITGB3
SCHEMBL6287930 0.81 LMNA (0.46) HDAC4HDAC3HDAC1HDAC7HDAC2
SCHEMBL6290280 0.75 HDAC1 (0.60) HDAC4HDAC3HDAC1HDAC7HDAC2

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 6 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 claimed
US-20030162724-A1 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-08-28 US claimed
EP-1291341-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN-LIKE ACTIVITIES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-12 EP claimed
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 LTA4H 1938/4885CALCRL 464/4885GRIN1 2599/4885

“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.