SCHEMBL13857484

SCHEMBL13857484

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.43
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
PSMB5 P28074 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
FAAH O00519 1/20 0.31
MAPK1 P28482 1/20 0.31
PIN1 Q13526 1/20 0.31
PKM P14618 1/20 0.31
LMNA P02545 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
SCHEMBL19361986 0.83 CYP2C9 (0.41) CYP2C9MEN1KMT2APSMB5ALDH1A1
SCHEMBL13122874 0.83 CYP2C9 (0.41) CYP2C9MEN1KMT2APSMB5ALDH1A1
SCHEMBL13857488 0.83 CTSC (0.34) ALDH1A1MMP1MMP2MMP3LMNA
SCHEMBL14131182 0.83 CYP2C9 (0.41) CYP2C9MEN1KMT2APSMB5ALDH1A1
SCHEMBL13857486 0.83 ALDH1A1 (0.41) CYP2C9ALDH1A1MMP1MMP2MMP3
SCHEMBL18513200 0.82 CYP2C9 (0.39) CYP2C9MEN1KMT2APSMB5L3MBTL1
SCHEMBL19155933 0.82 CYP2C9 (0.39) CYP2C9MEN1KMT2APSMB5L3MBTL1
SCHEMBL20756194 0.82 CYP2C9 (0.39) CYP2C9MEN1KMT2APSMB5ALDH1A1
SCHEMBL19486079 0.80 ALDH1A1 (0.47) MEN1KMT2AALDH1A1MMP1MMP2
SCHEMBL12537158 0.80 ALDH1A1 (0.47) MEN1KMT2AALDH1A1MMP1MMP2

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-20090131306-A1 CHEMICALLY MODIFIED CYCLIC PEPTIDES CONTAINING CELL ADHESION RECOGNITION (CAR) SEQUENCES AND USES THEREFOR ADHEREX TECHNOLOGIES, INC. (CA) 2009-05-21 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-20090131306-A1 CHEMICALLY MODIFIED CYCLIC PEPTIDES CONTAINING CELL ADHESION RECOGNITION (CAR) SEQUENCES AND USES THEREFOR VCAM1, EPCAM, ADGRF1 CYP2C9 4634/4885MEN1 1652/4885KMT2A 3153/4885

“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.