SCHEMBL3949575

SCHEMBL3949575

CC#CCOc1ccc(CCCC(=O)NO)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 9/20 0.59
MMP1 P03956 6/20 0.59
MMP9 P14780 6/20 0.59
MMP13 P45452 6/20 0.59
HDAC1 Q13547 6/20 0.56
MMP2 P08253 2/20 0.55
MMP14 P50281 1/20 0.55
MMP7 P09237 1/20 0.53
MMP8 P22894 1/20 0.53
HDAC2 Q92769 5/20 0.51
HDAC3 O15379 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
ALOX5 P09917 1/20 0.49

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
SCHEMBL3947498 0.87 MMP1 (0.63) ADAM17MMP1MMP9MMP13HDAC1
SCHEMBL6701805 0.85 MMP1 (0.60) ADAM17MMP1MMP9MMP13HDAC1
SCHEMBL6659297 0.85 FFAR1 (0.55) ADAM17MMP9MMP13HDAC1MMP2
SCHEMBL3940404 0.83 ADAM17 (0.64) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL3940413 0.80 ADAM17 (0.63) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL22570455 0.78 ALDH1A1 (0.65) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL9664624 0.78 HDAC6 (0.67) MMP1HDAC1HDAC2HDAC3HDAC8
SCHEMBL29016749 0.77 HDAC1 (0.68) HDAC1HDAC2HDAC3HDAC8HDAC6
SCHEMBL9663996 0.76 HDAC6 (0.63) MMP1HDAC1HDAC2HDAC3HDAC8
SCHEMBL9663885 0.76 HDAC1 (0.70) HDAC1HDAC2HDAC3HDAC8HDAC6

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 14 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
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
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 9/4885MMP1 215/4885MMP9 183/4885
US-20020147342-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase and tace inhibitors MMP12, MMP17, MMP14 ADAM17 7/4885MMP1 17/4885MMP9 14/4885

“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.