SCHEMBL13435004

SCHEMBL13435004

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.35
MMP2 P08253 2/20 0.35
MMP3 P08254 2/20 0.35
MMP7 P09237 1/20 0.35
HDAC2 Q92769 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 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
SCHEMBL13434986 0.83 PDF (0.38) MMP1MMP2MMP3HDAC2SMN1; SMN2
SCHEMBL13500186 0.82 MMP1 (0.44) MMP1MMP2MMP3MMP7
SCHEMBL13435005 0.79 MMP2 (0.43) MMP1MMP2MMP3MMP7HDAC2
SCHEMBL13435012 0.79 CTSK (0.38) HDAC2
SCHEMBL13499678 0.79 TSHR (0.41) MMP1MMP2MMP3MMP7
SCHEMBL13461531 0.79 MMP1 (0.34) MMP1MMP2MMP3MMP7SMN1; SMN2
SCHEMBL13575213 0.76 CA1 (0.45) MMP1MMP2MMP3HDAC2POLB
SCHEMBL13434996 0.76 CA1 (0.45) MMP1MMP2MMP3HDAC2POLB
SCHEMBL13434995 0.76 GRIK1 (0.34) MMP1MMP2MMP3MMP7HDAC2
SCHEMBL12040054 0.75 CA1 (0.42) MMP2MMP3HDAC2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069373-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF A BETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-03-18 US disclosed
US-20100056501-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-03-04 US disclosed
US-20100056501-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-03-04 US disclosed
US-20100048541-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2010-02-25 US disclosed
US-7498324-B2 Substituted lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-03-03 US disclosed
US-20080221087-A1 Substituted lactams as inhibitors of abeta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-09-11 US disclosed
US-7390802-B2 Substituted lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA CORPORATION (US) 2008-06-24 US disclosed
US-7276495-B2 Substituted lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-10-02 US disclosed
US-7276495-B2 Substituted lactams as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-10-02 US disclosed
US-20070173491-A1 Substituted lactams as inhibitors of Abeta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-07-26 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 (5 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-20080221087-A1 Substituted lactams as inhibitors of abeta protein production BACE1, APP, APH1A MMP1 2106/4885MMP2 1029/4885MMP3 2663/4885
US-20100048541-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A MMP1 2106/4885MMP2 1029/4885MMP3 2663/4885
US-20070173491-A1 Substituted lactams as inhibitors of Abeta protein production BACE1, APP, APH1A MMP1 2106/4885MMP2 1029/4885MMP3 2663/4885
US-20100069373-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF A BETA PROTEIN PRODUCTION BACE1, APP, BACE2 MMP1 1976/4885MMP2 957/4885MMP3 2583/4885
US-20100056501-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A MMP1 2106/4885MMP2 1029/4885MMP3 2663/4885

“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.