SCHEMBL6263103

SCHEMBL6263103

CC#CCOc1ccc(S(=O)(=O)C2(C(=O)OCC)CCCN(CC)C2)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 18/20 0.65
MMP13 P45452 17/20 0.55
MMP2 P08253 6/20 0.52
MMP14 P50281 4/20 0.52
MMP1 P03956 6/20 0.51
MMP9 P14780 5/20 0.51
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL6835506 0.92 ADAM17 (0.64) ADAM17MMP13MMP2MMP14MMP1
SCHEMBL6268533 0.89 ADAM17 (0.65) ADAM17MMP13MMP2MMP14MMP1
SCHEMBL6835504 0.89 ADAM17 (0.65) ADAM17MMP13MMP2MMP14MMP1
SCHEMBL6265689 0.89 ADAM17 (0.59) ADAM17MMP13MMP2MMP14MMP1
SCHEMBL6265309 0.89 ADAM17 (0.65) ADAM17MMP13MMP2MMP14MMP1
SCHEMBL3941034 0.87 ADAM17 (0.79) ADAM17MMP13MMP2MMP14MMP1
Hydrochloric Acid SCHEMBL6266554 0.86 ADAM17 (0.78) ADAM17MMP13MMP2MMP14MMP1
Hydrochloric Acid SCHEMBL6266553 0.85 ADAM17 (0.76) ADAM17MMP13MMP2MMP14MMP1
SCHEMBL7364431 0.81 ADAM17 (0.59) ADAM17MMP13MMP2MMP14MMP1
SCHEMBL6263585 0.81 ADAM17 (0.61) ADAM17MMP13MMP2MMP14MMP1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147085-B1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS / TNF-ALPHA CONVERTING ENZYME (TACE) INHIBITORS WYETH CORP (US) 2005-11-16 EP disclosed
US-20040229924-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase/TACE inhibitors WYETH 2004-11-18 US disclosed
US-6753337-B2 INHIBITORS OF TNF-ALPHA CONVERTING ENZYME; TREATMENT OF ARTHRITIS, INFLAMMATION, INFLAMMATORY BOWEL DISEASE ETC, WYETH HOLDINGS CORPORATION 2004-06-22 US disclosed
US-20020099035-A1 Method for preparing alpha-sulfonyl hydroxamic acid derivatives WYETH HOLDINGS CORPORATION 2002-07-25 US disclosed
US-20020086890-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase/tace inhibitors AMERICAN CYANAMID COMPANY 2002-07-04 US disclosed
US-6358980-B1 FOR THERAPY OF ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, DIABETES (INSULIN RESISTANCE) AND HIV INFECTION AMERICAN CYANAMID COMPANY 2002-03-19 US disclosed
EP-1147085-A1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS / TNF-ALPHA CONVERTING ENZYME (TACE) INHIBITORS American Cyanamid Company (US) 2001-10-24 EP disclosed
WO-2000044723-A1 ALKYNYL CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS/TNF-ALPHA CONVERTING ENZYME (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 (3 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-20020086890-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase/tace inhibitors MMP17, MMP1, MMP9 ADAM17 12/4885MMP13 16/4885MMP2 11/4885
US-20040229924-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase/TACE inhibitors MMP17, MMP1, MMP9 ADAM17 12/4885MMP13 16/4885MMP2 11/4885
US-20020099035-A1 Method for preparing alpha-sulfonyl hydroxamic acid derivatives MMP25, ADAMTS5, MMP9 ADAM17 4/4885MMP13 22/4885MMP2 7/4885

“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.