SCHEMBL4187009

SCHEMBL4187009

CCCC[C@H](O)[C@@H](CC1CC1)C(=O)NC1N=C(CC)c2ccccc2N(Cc2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 11/20 0.37
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
NPY1R P25929 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CCKAR P32238 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
OXTR P30559 1/20 0.34
PTGIR P43119 1/20 0.33

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
SCHEMBL4182582 0.94 CCKBR (0.37) CCKBRKEAP1NFE2L2NPY1RALDH1A1
SCHEMBL4179537 0.81 BDKRB1 (0.42) CCKBROXTR
SCHEMBL4175871 0.81 BDKRB1 (0.42) CCKBROXTR
SCHEMBL4179536 0.81 BDKRB1 (0.42) CCKBROXTR
SCHEMBL4180000 0.80 OXTR (0.41) CCKBRCCKAROXTR
SCHEMBL4179997 0.80 OXTR (0.41) CCKBRCCKAROXTR
SCHEMBL4191522 0.78 APP (0.42) CCKBRCCKARMEN1KMT2AOXTR
SCHEMBL4191526 0.78 APP (0.42) CCKBRCCKARMEN1KMT2AOXTR
SCHEMBL4184612 0.78 NOTCH1 (0.39) CCKBRCCKAROXTR
SCHEMBL4184617 0.78 NOTCH1 (0.39) CCKBRCCKAROXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111793-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-04-30 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 (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-20090111793-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION APP, BACE1, APH1A CCKBR 3888/4885KEAP1 1779/4885NFE2L2 3441/4885

“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.