SCHEMBL6656959

SCHEMBL6656959

CC#CCOc1ccc(SOC(=O)Cc2ccc(OC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 10/20 0.52
MMP13 P45452 4/20 0.43
MMP9 P14780 3/20 0.42
MMP1 P03956 1/20 0.42
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 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
SCHEMBL6656714 0.90 ADAM17 (0.45) ADAM17MMP13MMP9MMP1ALDH1A1
SCHEMBL6662479 0.89 ADAM17 (0.44) ADAM17MMP13MMP9ALDH1A1KDM4E
SCHEMBL6655286 0.89 ADAM17 (0.51) ADAM17MMP13MMP9MMP1
SCHEMBL6656661 0.84 ADAM17 (0.44) ADAM17MMP13MMP9MMP1KMT2A
SCHEMBL6658036 0.82 PSMB5 (0.39) ADAM17MMP13MMP9MMP1KDM4E
SCHEMBL6654871 0.81 ADAM17 (0.43) ADAM17MMP13MMP9MMP1
SCHEMBL6660841 0.81 MAOB (0.43) ADAM17MMP13MMP9KMT2AGAA
SCHEMBL6662581 0.80 HTT (0.51) ALDH1A1CYP3A4CYP2C19HTTKMT2A
SCHEMBL6656469 0.79 ADAM17 (0.56) ADAM17MMP13MMP9MMP1
SCHEMBL30692446 0.75 KDM4E (0.54) ADAM17MMP13MMP9MMP1ALDH1A1

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
EP-1147080-B1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS WYETH CORP (US) 2004-07-21 EP disclosed
US-20020147342-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase and tace inhibitors AMERICAN CYANAMID COMPANY (US) 2002-10-10 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-20020147342-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase and tace inhibitors MMP12, MMP17, MMP14 ADAM17 7/4885MMP13 12/4885MMP9 14/4885

“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.