SCHEMBL13499676

SCHEMBL13499676

CCCCC(CC1CC1)C(=O)NC(C)C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CTSK P43235 2/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CA2 P00918 4/20 0.42
CA1 P00915 3/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 1/20 0.42
FAAH O00519 1/20 0.42
LTA4H P09960 1/20 0.42
TP53 P04637 1/20 0.39
REN P00797 1/20 0.39
BIRC2 Q13490 1/20 0.38
METAP2 P50579 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL13499626 0.95 KMT2A (0.50) KMT2AALDH1A1CTSKCTSLCTSB
SCHEMBL13499651 0.95 KMT2A (0.47) KMT2AALDH1A1CTSKCTSLCTSB
SCHEMBL13499668 0.90 LTA4H (0.43) KMT2AALDH1A1CTSKCTSLCTSB
SCHEMBL13499659 0.85 LTA4H (0.49) KMT2AALDH1A1CTSKCTSLCTSB
SCHEMBL13499644 0.85 LTA4H (0.46) KMT2AALDH1A1CTSKCTSLCTSB
SCHEMBL13499653 0.83 LTA4H (0.43) KMT2AALDH1A1CTSKLTA4HTP53
SCHEMBL13500209 0.83 CA2 (0.44) KMT2AALDH1A1CTSKCTSLCTSB
SCHEMBL13461380 0.82 CA2 (0.43) KMT2AALDH1A1CTSKCTSLCTSB
SCHEMBL13499628 0.81 CA2 (0.40) KMT2ACTSKCTSLCTSBCA2
SCHEMBL13499664 0.81 LTA4H (0.45) KMT2AALDH1A1CTSKCTSLCTSB

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-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

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-20100048541-A1 SUBSTITUTED LACTAMS AS INHIBITORS OF ABETA PROTEIN PRODUCTION BACE1, APP, APH1A KMT2A 4379/4885ALDH1A1 3896/4885CTSK 933/4885

“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.