SCHEMBL6659000

SCHEMBL6659000

CC#CCOc1ccc(Sc2cc(OC)ccc2CC(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 4/20 0.53
MMP2 P08253 3/20 0.53
MMP12 P39900 2/20 0.53
ADAM17 P78536 9/20 0.47
HSD17B10 Q99714 1/20 0.44
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
MMP14 P50281 2/20 0.40
MMP13 P45452 4/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 2/20 0.39
PTGS1 P23219 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
LCK P06239 1/20 0.38

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
SCHEMBL6657084 0.90 MMP9 (0.44) MMP9MMP2MMP12ADAM17CYP2C9
SCHEMBL6660771 0.88 MMP9 (0.44) MMP9MMP2MMP12ADAM17CYP2C9
SCHEMBL6657572 0.85 MMP9 (0.62) MMP9MMP2MMP12ADAM17CYP2C9
SCHEMBL11754252 0.82 MMP2 (0.61) MMP9MMP2MMP12HSD17B10CYP2C9
SCHEMBL6657407 0.81 MMP9 (0.46) MMP9MMP2MMP12ADAM17CYP2C9
SCHEMBL11761893 0.81 MMP2 (0.60) MMP9MMP2MMP12HSD17B10CYP2C9
SCHEMBL11758032 0.81 MMP2 (0.60) MMP9MMP2MMP12HSD17B10CYP2C9
SCHEMBL6656957 0.80 ADAM17 (0.47) MMP9MMP2ADAM17HPGDMMP14
SCHEMBL6654463 0.76 ADAM17 (0.47) MMP9MMP2MMP12ADAM17CYP2C9
SCHEMBL6656390 0.76 ADAM17 (0.44) MMP9MMP2MMP12ADAM17CYP2C9

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.