SCHEMBL6656714

SCHEMBL6656714

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 13/20 0.45
MMP9 P14780 7/20 0.43
MMP13 P45452 7/20 0.43
PPARA Q07869 1/20 0.41
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MMP1 P03956 5/20 0.38
MMP2 P08253 2/20 0.38
MMP14 P50281 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37
MMP7 P09237 1/20 0.37
MMP8 P22894 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
SCHEMBL6656959 0.90 ADAM17 (0.52) ADAM17MMP9MMP13ALDH1A1MMP1
SCHEMBL6662479 0.89 ADAM17 (0.44) ADAM17MMP9MMP13ALDH1A1RAB9A
SCHEMBL6655286 0.89 ADAM17 (0.51) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL6656661 0.84 ADAM17 (0.44) ADAM17MMP9MMP13PPARAMMP1
SCHEMBL6656624 0.83 LTA4H (0.49) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6658036 0.82 PSMB5 (0.39) ADAM17MMP9MMP13PPARAHPGD
SCHEMBL6654871 0.81 ADAM17 (0.43) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL6660841 0.81 MAOB (0.43) ADAM17MMP9MMP13
SCHEMBL6656469 0.79 ADAM17 (0.56) ADAM17MMP9MMP13MMP1MMP14
SCHEMBL19543265 0.75 NQO1 (0.61) ADAM17MMP9MMP13ALDH1A1MMP1

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 7/4885MMP9 14/4885MMP13 12/4885

“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.