SCHEMBL13499671

SCHEMBL13499671

C=CCC(CC(C)(C)C)C(=O)NC(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
HTT P42858 1/20 0.33
CPA1 P15085 1/20 0.33
PDF Q9HBH1 1/20 0.32
USP2 O75604 1/20 0.31
MEN1 O00255 1/20 0.31
FAAH O00519 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL13499633 0.83 PDF (0.44) TSHRMMP1MMP2MMP3HTT
SCHEMBL13500191 0.81 MMP1 (0.40) MMP1MMP2MMP3MMP7GRIK1
SCHEMBL13499682 0.81 CTSK (0.40) TSHRGRIK1GRIK2MEN1FAAH
SCHEMBL13434995 0.80 GRIK1 (0.34) MMP1MMP2MMP3MMP7GRIK1
SCHEMBL13461526 0.79 ALDH1A1 (0.36) TSHRMMP1MMP2MMP3MMP7
SCHEMBL13499673 0.77 TSHR (0.38) TSHRMMP1MMP2MMP3MMP7
SCHEMBL23008682 0.77 TSHR (0.40) TSHRMMP1MMP2HTTUSP2
SCHEMBL13499678 0.76 TSHR (0.41) TSHRMMP1MMP2MMP3MMP7
SCHEMBL26193053 0.76 MMP1 (0.30) TSHRMMP1MMP2MMP3
SCHEMBL11518456 0.75 TSHR (0.46) TSHRMMP1MMP2MMP3MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048541-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-02-25 US disclosed
US-7655647-B2 Substituted lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-02-02 US disclosed
US-7655647-B2 Substituted lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-02-02 US disclosed
US-20090170831-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-07-02 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-20100048541-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A TSHR 4799/4885MMP1 2106/4885MMP2 1029/4885
US-20090170831-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A TSHR 4832/4885MMP1 2000/4885MMP2 1228/4885

“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.