SCHEMBL3939995

SCHEMBL3939995

CC#CCOc1ccc(SC(CCCCNC(=O)CN(C(=O)Cc2ccccc2)C(=O)Cc2ccccc2)C(=O)NO)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 19/20 0.60
MMP9 P14780 13/20 0.60
MMP13 P45452 12/20 0.60
MMP1 P03956 10/20 0.42
MMP2 P08253 2/20 0.42
ADAM10 O14672 1/20 0.42
MMP14 P50281 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
MMP7 P09237 1/20 0.39
MMP8 P22894 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
SCHEMBL3944995 0.88 ADAM17 (0.66) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL3937329 0.83 ADAM17 (0.61) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL3940241 0.83 ADAM17 (0.73) ADAM17MMP9MMP13MMP1ADAM10
SCHEMBL3948419 0.83 ADAM17 (0.43) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL3944998 0.81 ADAM17 (0.68) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL3939996 0.81 ADAM17 (0.63) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL3939187 0.80 ADAM17 (0.63) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL3941406 0.79 ADAM17 (0.56) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL3940911 0.79 ADAM17 (0.60) ADAM17MMP9MMP13MMP1MMP2
SCHEMBL3941372 0.79 ADAM17 (0.62) ADAM17MMP9MMP13MMP1HDAC1

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 13 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 claimed
US-20020147342-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase and tace inhibitors AMERICAN CYANAMID COMPANY (US) 2002-10-10 US claimed
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 claimed
EP-1147080-A1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS American Cyanamid Company (US) 2001-10-24 EP claimed
WO-2000044713-A1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO claimed
US-7488754-B2 Method for the treatment of polycystic kidney disease WYETH (US) 2009-02-10 US disclosed
US-6825354-B2 OSTEOPOROSIS; RHEUMATIC DISEASES WYETH HOLDINGS CORPORATION 2004-11-30 US disclosed
EP-1147080-B1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS WYETH CORP (US) 2004-07-21 EP disclosed
US-20040063672-A1 Method for the treatment of polycystic kidney disease WYETH HOLDINGS CORPORATION 2004-04-01 US disclosed
WO-2002083112-A2 METHOD FOR THE TREATMENT OF POLYCYSTIC KIDNEY DISEASE WYETH HOLDINGS CORPORATION (US) 2002-10-24 WO disclosed
US-20020147342-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase and tace inhibitors AMERICAN CYANAMID COMPANY (US) 2002-10-10 US disclosed
EP-1147080-A1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS American Cyanamid Company (US) 2001-10-24 EP disclosed
WO-2000044713-A1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO 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 (2 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-20040063672-A1 Method for the treatment of polycystic kidney disease PKD1, PKD2, PCSK6 ADAM17 9/4885MMP9 183/4885MMP13 246/4885
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.