SCHEMBL6654871

SCHEMBL6654871

CC#CCOc1ccc(SOC(=O)Cc2cccc(Br)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 13/20 0.43
MAOB P27338 4/20 0.43
PARP15 Q460N3 1/20 0.40
PARP14 Q460N5 1/20 0.40
PARP10 Q53GL7 1/20 0.40
MMP9 P14780 5/20 0.39
MMP13 P45452 5/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
MAOA P21397 2/20 0.38
MMP1 P03956 3/20 0.37
MMP2 P08253 1/20 0.37
MMP14 P50281 1/20 0.37

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
SCHEMBL6660841 0.87 MAOB (0.43) ADAM17MAOBMMP9MMP13MAOA
SCHEMBL6655286 0.86 ADAM17 (0.51) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL6656661 0.83 ADAM17 (0.44) ADAM17MMP9MMP13MMP1
SCHEMBL6656959 0.81 ADAM17 (0.52) ADAM17MMP9MMP13MMP1
SCHEMBL6656714 0.81 ADAM17 (0.45) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL6662479 0.80 ADAM17 (0.44) ADAM17MAOBMMP9MMP13MAOA
SCHEMBL6656615 0.79 MAOB (0.43) MAOBPARP15PARP14PARP10MMP9
SCHEMBL6658036 0.77 PSMB5 (0.39) ADAM17MMP9MMP13FFAR1MMP1
SCHEMBL6656469 0.74 ADAM17 (0.56) ADAM17MMP9MMP13MMP1MMP14
SCHEMBL6654467 0.72 ADAM17 (0.65) ADAM17MMP9MMP13MMP1

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 3 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
US-6340691-B1 TREATMENT OF ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, DIABETES (INSULIN RESISTANCE) AND HIV INFECTION AMERICAN CYANAMID COMPANY 2002-01-22 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 7/4885MAOB 1673/4885PARP15 760/4885

“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.