SCHEMBL6344213

SCHEMBL6344213

COc1ccc(C(CC(=O)O)NC(=O)C(CC(=O)NCc2ccccc2OC)CC(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.55
HTT P42858 1/20 0.55
ANPEP P15144 1/20 0.48
POLB P06746 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 1/20 0.47
MMP2 P08253 2/20 0.46
MMP1 P03956 1/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
GPR88 Q9GZN0 1/20 0.44
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6354021 0.89 PLA2G1B (0.59) HPGDANPEPALDH1A1MMP2MMP1
SCHEMBL6344869 0.81 MMP2 (0.54) KMT2AALDH1A1MMP2MMP1MMP3
SCHEMBL6346137 0.79 FNTA (0.51) HTTANPEPMEN1KMT2AMMP2
SCHEMBL6340867 0.78 ITGB1 (0.58) MMP2MMP1MMP3MMP9PLA2G1B
SCHEMBL6348066 0.76 TDP1 (0.55) HPGDHTTMEN1KMT2AALDH1A1
SCHEMBL6343091 0.75 ITGB1 (0.58) MMP2MMP1MMP3MMP9
SCHEMBL6344218 0.75 MMP1 (0.49) HPGDMEN1KMT2AALDH1A1MMP2
SCHEMBL19117300 0.73 HPGD (1.00) HPGDHTTPOLBMEN1KMT2A
SCHEMBL6344873 0.73 MMP1 (0.49) HPGDMEN1KMT2AALDH1A1MMP2
SCHEMBL6344930 0.70 POLB (0.52) POLBMEN1KMT2AMMP1MMP3

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-6949534-B2 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2005-09-27 US claimed
US-20040053907-A1 Cell adhesion inhibitors BIOGEN, INC. A MASSACHUSETTS CORPORATION. 2004-03-18 US claimed

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-20040053907-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM HPGD 1598/4885HTT 3064/4885ANPEP 1729/4885

“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.