SCHEMBL1543055

SCHEMBL1543055

CC(C)(C)N(C(=O)O)[C@H]1CC[C@@H](NC(=O)c2ccc(-c3cccc(F)c3)nc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 7/20 0.61
GABRA5 P31644 4/20 0.48
MAP4K4 O95819 2/20 0.47
CYP2C9 P11712 3/20 0.46
MAPK14 Q16539 3/20 0.46
BUB1 O43683 1/20 0.46
PRKACG P22612 1/20 0.46
MAPKAPK2 P49137 1/20 0.46
MAPK11 Q15759 1/20 0.46
ACSL5 Q9ULC5 1/20 0.46
STK24 Q9Y6E0 1/20 0.46
GRM5 P41594 1/20 0.46
USP30 Q70CQ3 1/20 0.43

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
SCHEMBL1543059 1.00 HPGDS (0.61) HPGDSGABRA5MAP4K4CYP2C9MAPK14
SCHEMBL1543315 0.90 HPGDS (0.56) HPGDSGABRA5MAP4K4GRM5USP30
SCHEMBL1543508 0.90 HPGDS (0.56) HPGDSGABRA5MAP4K4GRM5USP30
SCHEMBL1543312 0.90 HPGDS (0.56) HPGDSGABRA5MAP4K4GRM5USP30
SCHEMBL1543314 0.90 HPGDS (0.56) HPGDSGABRA5MAP4K4GRM5USP30
SCHEMBL1543507 0.90 HPGDS (0.56) HPGDSGABRA5MAP4K4GRM5USP30
SCHEMBL2982039 0.88 HPGDS (0.55) HPGDSGABRA5MAP4K4CYP2C9MAPK14
SCHEMBL1543340 0.87 HPGDS (0.74) HPGDSGABRA5MAP4K4CYP2C9MAPK14
SCHEMBL13572496 0.85 HPGDS (0.62) HPGDSGABRA5MAP4K4CYP2C9MAPK14
SCHEMBL13240634 0.85 HPGDS (0.64) HPGDSGABRA5MAP4K4CYP2C9MAPK14

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
EP-2307377-A1 NICOTINAMIDE DERIVATIVES Pfizer Limited (GB) 2011-04-13 EP disclosed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US disclosed
WO-2009153720-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 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-20100173888-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 HPGDS 1073/4885GABRA5 1938/4885MAP4K4 2268/4885

“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.