SCHEMBL6687622

SCHEMBL6687622

CC(C)C[C@@H](C(=O)O)[C@H](CC=Cc1ccccc1)C(=O)NO

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.65
MMP2 P08253 8/20 0.48
MMP3 P08254 8/20 0.48
MMP7 P09237 6/20 0.48
MMP1 P03956 6/20 0.47
MMP8 P22894 2/20 0.47
MMP9 P14780 2/20 0.47
MMP14 P50281 2/20 0.47
MMP12 P39900 1/20 0.47
MMP13 P45452 1/20 0.47
LTA4H P09960 1/20 0.47
ANPEP P15144 1/20 0.47
GRIK1 P39086 2/20 0.47
GRIK2 Q13002 2/20 0.47
HTR2A P28223 3/20 0.45
FCER2 P06734 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
SCHEMBL6687619 1.00 ADAM17 (0.65) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6942867 0.83 ADAM17 (0.68) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6945094 0.82 ADAM17 (0.58) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6942575 0.82 ADAM17 (0.73) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6945099 0.82 ADAM17 (0.58) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6942567 0.82 ADAM17 (0.73) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6945072 0.82 ADAM17 (0.58) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL8097968 0.82 ADAM17 (0.73) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6942562 0.82 ADAM17 (0.73) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6942466 0.81 ADAM17 (0.63) ADAM17MMP2MMP3MMP7MMP1

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
WO-2004096206-A2 THERAPEUTIC COMBINATION OF A COX-2 INHIBITOR AND A TACE INHIBITOR PHARMACIA CORPORATION (US) 2004-11-11 WO claimed
US-20040122011-A1 Method of using a COX-2 inhibitor and a TACE inhibitors as a combination therapy PHARMACIA CORPORATION 2004-06-24 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-20040122011-A1 Method of using a COX-2 inhibitor and a TACE inhibitors as a combination therapy PTGES2, PTGS2, PTGIS ADAM17 22/4885MMP2 60/4885MMP3 39/4885

“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.