SCHEMBL6657572

SCHEMBL6657572

CC#CCOc1ccc(Sc2ccccc2CC(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 8/20 0.62
MMP2 P08253 5/20 0.62
MMP12 P39900 5/20 0.62
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
HPGD P15428 1/20 0.60
ADAM17 P78536 9/20 0.50
MMP14 P50281 1/20 0.47
MMP13 P45452 3/20 0.42
MMP1 P03956 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A9 P48067 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL8231076 0.87 MMP9 (0.65) MMP9MMP2MMP12CYP2C9CYP2C19
SCHEMBL6659000 0.85 MMP9 (0.53) MMP9MMP2MMP12CYP2C9CYP2C19
SCHEMBL6660771 0.84 MMP9 (0.44) MMP9MMP2MMP12CYP2C9CYP2C19
SCHEMBL6654463 0.84 ADAM17 (0.47) MMP9MMP2MMP12CYP2C9CYP2C19
SCHEMBL6656390 0.84 ADAM17 (0.44) MMP9MMP2MMP12CYP2C9CYP2C19
SCHEMBL6657084 0.84 MMP9 (0.44) MMP9MMP2MMP12CYP2C9CYP2C19
SCHEMBL315440 0.80 MMP2 (0.92) MMP9MMP2MMP12CYP2C9CYP2C19
SCHEMBL6657407 0.80 MMP9 (0.46) MMP9MMP2MMP12CYP2C9CYP2C19
SCHEMBL8363035 0.79 MMP2 (0.71) MMP9MMP2MMP12CYP2C9CYP2C19
SCHEMBL6655282 0.78 PTGS2 (0.57) ADAM17SLC6A9

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 MMP9 14/4885MMP2 22/4885MMP12 1/4885

“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.