SCHEMBL6507357

SCHEMBL6507357

CC(C)(C)OC(=O)N1CCC(n2ccc(OCc3ccccc3)c(Br)c2=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.46
MAPK14 Q16539 1/20 0.46
STS P08842 1/20 0.46
GPR119 Q8TDV5 2/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
PRMT5 O14744 2/20 0.43
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HCAR1 Q9BXC0 1/20 0.42
TP53 P04637 1/20 0.41
PRKCG P05129 1/20 0.41
PRKCB P05771 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCH P24723 1/20 0.41
PRKCE Q02156 1/20 0.41
PRKCD Q05655 1/20 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
SCHEMBL16669923 0.89 MAPK14 (0.46) YAP1MAPK14STSGPR119JAK2
SCHEMBL5862299 0.87 MAPK14 (0.52) MAPK14SMN1; SMN2
SCHEMBL16670474 0.86 MAPK14 (0.48) YAP1MAPK14STSGPR119JAK2
SCHEMBL4482872 0.85 MAPK14 (0.52) YAP1MAPK14STSGPR119KDM4E
SCHEMBL3523774 0.84 HCAR1 (0.47) YAP1STSGPR119JAK2JAK1
SCHEMBL16670428 0.80 YAP1 (0.53) YAP1MAPK14STSGPR119JAK2
SCHEMBL27621121 0.80 MAPK14 (0.49) MAPK14KDM4E
SCHEMBL4466043 0.78 HTR6 (0.51) YAP1MAPK14PRMT5
Hydrochloric Acid SCHEMBL4473076 0.78 MAPK14 (0.54) MAPK14
SCHEMBL26483782 0.76 YAP1 (0.47) YAP1STSGPR119JAK2JAK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US claimed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US 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 (2 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-20040058964-A1 Substituted pyridinones MAPK1, MAPK6, MAPK7 YAP1 3871/4885MAPK14 41/4885STS 2349/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 YAP1 3564/4885MAPK14 53/4885STS 2258/4885

“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.