SCHEMBL6344218

SCHEMBL6344218

COc1ccc(C(CC(=O)O)NC(=O)C(CC(=O)N(Cc2ccccc2)OC)CC(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.49
MMP2 P08253 3/20 0.49
MMP3 P08254 2/20 0.49
MMP9 P14780 1/20 0.49
GPR88 Q9GZN0 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MMP7 P09237 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR2 P34972 1/20 0.41
CTSA P10619 2/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL6348066 0.90 TDP1 (0.55) MMP1MMP2MMP3MMP9GPR88
SCHEMBL6354021 0.82 PLA2G1B (0.59) MMP1MMP2MMP3MMP9GPR88
SCHEMBL6344873 0.80 MMP1 (0.49) MMP1MMP2MMP3MMP9GPR88
SCHEMBL6346137 0.76 FNTA (0.51) MMP1MMP2MMP3MMP9GPR88
SCHEMBL6344869 0.76 MMP2 (0.54) MMP1MMP2MMP3MMP9ALDH1A1
SCHEMBL6344213 0.75 HPGD (0.55) MMP1MMP2MMP3MMP9GPR88
SCHEMBL6343091 0.72 ITGB1 (0.58) MMP1MMP2MMP3MMP9
SCHEMBL6340867 0.70 ITGB1 (0.58) MMP1MMP2MMP3MMP9
SCHEMBL14562429 0.69 ATM (0.62) ALDH1A1THRBHPGDNPSR1RXFP1
SCHEMBL4888869 0.69 PLA2G1B (0.56) GPR88TDP1ALDH1A1THRBHPGD

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 MMP1 192/4885MMP2 621/4885MMP3 464/4885

“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.