SCHEMBL6282776

SCHEMBL6282776

NCCCC[C@@](N)(C(=O)Nc1ccc(C(c2ccc(NC(=O)[C@](N)(CCCCN)C(=O)c3cccc(O)c3)cc2)c2ccc(NC(=O)[C@](N)(CCCCN)C(=O)c3cccc(OC(=O)C(F)(F)F)c3)cc2)cc1)C(=O)c1cccc(O)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.35
MAPK1 P28482 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
NLRP3 Q96P20 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
AR P10275 1/20 0.32
P2RX1 P51575 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
ESR1 P03372 2/20 0.30
ESR2 Q92731 2/20 0.30
MLYCD O95822 1/20 0.30
BAZ1A Q9NRL2 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
Trifluoroacetic Acid SCHEMBL7038495 0.89 TP53 (0.35) MAPK1NLRP3TP53GAAHTT
SCHEMBL6290435 0.86 EGFR (0.34) EGFRNLRP3ESR1ESR2
SCHEMBL6290421 0.86 EGFR (0.34) EGFRNLRP3ESR1ESR2
SCHEMBL6291007 0.85 EPHX2 (0.38) EGFRCNR1CNR2
Trifluoroacetic Acid SCHEMBL6287794 0.79 MLYCD (0.37) TP53LMNAMLYCD
Trifluoroacetic Acid SCHEMBL6290918 0.79 MLYCD (0.37) TP53LMNAMLYCD
Trifluoroacetic Acid SCHEMBL7039259 0.79 GABRB1 (0.40) POLBMLYCD
SCHEMBL6286550 0.77 MAPT (0.32) GAAESR1ESR2
SCHEMBL6287743 0.77 KDM4E (0.31) HTTLMNA
Hydrochloric Acid SCHEMBL6286600 0.74 CHRNA1 (0.37) NLRP3LMNA

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 EGFR 256/4885MAPK1 338/4885CNR1 1813/4885

“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.