SCHEMBL4870877

SCHEMBL4870877

COC(=O)c1coc(-c2ccc(F)c(C(F)(F)F)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
MPL P40238 2/20 0.46
HDAC1 Q13547 8/20 0.46
HDAC8 Q9BY41 8/20 0.46
HDAC6 Q9UBN7 8/20 0.46
SCN10A Q9Y5Y9 1/20 0.45
KMO O15229 2/20 0.43
F2RL3 Q96RI0 1/20 0.40
PDE4B Q07343 1/20 0.39
RIPK1 Q13546 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38

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
SCHEMBL4872369 0.85 KMO (0.55) MPLHDAC1HDAC8HDAC6KMO
SCHEMBL5901399 0.81 HDAC1 (0.51) HDAC1HDAC8HDAC6SCN10APDE4B
SCHEMBL16242198 0.80 HDAC1 (0.50) HDAC1HDAC8HDAC6SCN10APDE4B
SCHEMBL2221957 0.79 HDAC1 (0.67) HDAC1HDAC8HDAC6SCN10APDE4B
SCHEMBL27401748 0.78 NOTUM (0.47) NOTUMHDAC1HDAC8HDAC6SCN10A
SCHEMBL12907117 0.77 HDAC1 (0.45) HDAC1HDAC8HDAC6SCN10APDE4B
SCHEMBL12943243 0.77 HDAC1 (0.45) HDAC1HDAC8HDAC6SCN10A
SCHEMBL12563521 0.77 PDE2A (0.48) MPLHDAC1HDAC8HDAC6SCN10A
SCHEMBL17487352 0.76 HDAC1 (0.67) HDAC1HDAC8HDAC6SCN10APDE4B
SCHEMBL31163941 0.76 HDAC1 (0.48) HDAC1HDAC8HDAC6SCN10APDE4B

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-20080076771-A1 Thrombopoietin Receptor Agonists REITER LAWRENCE A 2008-03-27 US disclosed
EP-1794156-A2 TROMBOPOIETIN RECEPTOR AGONISTS Pfizer Products Incorporated (US) 2007-06-13 EP disclosed
WO-2006033005-A2 THROMBOPOIETIN RECEPTOR AGONISTS PFIZER PRODUCTS INC. (US) 2006-03-30 WO 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-20080076771-A1 Thrombopoietin Receptor Agonists MPL, THPO, TBXA2R NOTUM 4802/4885MPL 1/4885HDAC1 3402/4885

“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.