SCHEMBL7411525

SCHEMBL7411525

CCCCN1CCC(C(=O)OCC)(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 13/20 0.75
MMP13 P45452 13/20 0.75
MMP1 P03956 11/20 0.75
ADAM17 P78536 9/20 0.75
SMN1; SMN2 Q16637 2/20 0.69
HTT P42858 2/20 0.69
CYP3A4 P08684 2/20 0.69
CYP2D6 P10635 2/20 0.69
CYP2C9 P11712 2/20 0.69
CYP2C19 P33261 2/20 0.69
CYP1A2 P05177 1/20 0.69
NPSR1 Q6W5P4 1/20 0.69
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
ALDH1A1 P00352 2/20 0.66
LMNA P02545 1/20 0.63
GAA P10253 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
MMP14 P50281 3/20 0.52
MMP2 P08253 3/20 0.52

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
SCHEMBL7405314 0.91 SMN1; SMN2 (0.76) MMP9MMP13MMP1ADAM17SMN1; SMN2
SCHEMBL7403023 0.89 MMP9 (0.80) MMP9MMP13MMP1ADAM17SMN1; SMN2
SCHEMBL7411815 0.89 MMP9 (0.69) MMP9MMP13MMP1ADAM17SMN1; SMN2
SCHEMBL7406181 0.88 MMP9 (0.74) MMP9MMP13MMP1ADAM17SMN1; SMN2
SCHEMBL6566657 0.88 MMP9 (0.74) MMP9MMP13MMP1ADAM17SMN1; SMN2
SCHEMBL7407709 0.86 MMP13 (1.00) MMP9MMP13MMP1ADAM17MMP14
SCHEMBL7410572 0.85 ALDH1A1 (0.90) MMP9MMP13MMP1ADAM17SMN1; SMN2
SCHEMBL7529617 0.84 MMP9 (0.89) MMP9MMP13MMP1ADAM17SMN1; SMN2
SCHEMBL6568447 0.82 MMP9 (0.75) MMP9MMP13MMP1ADAM17SMN1; SMN2
SCHEMBL7407404 0.82 MMP9 (0.65) MMP9MMP13MMP1ADAM17SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020188120-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl, or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors AMERICAN CYANAMID COMPANY (US) 2002-12-12 US disclosed
US-6462073-B2 METALLOPROTEASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION 2002-10-08 US disclosed
US-6441023-B1 FOR THERAPY OF ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, DIABETES (INSULIN RESISTANCE) AND HIV INFECTION AMERICAN HOME PRODUCTS CORPORATION 2002-08-27 US disclosed
US-20020032186-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors AMERICAN CYANAMID COMPANY (US) 2002-03-14 US disclosed
US-6331563-B1 LOW MOLECULAR WEIGHT, NON-PEPTIDE INHIBITORS OF MATRIX METALLOPROTEINASES AND TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME; TREATING ARTHRITIS, TUMOR METASTASIS, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, INSULIN RESISTANCE WYETH HOLDINGS CORPORATION 2001-12-18 US disclosed
US-6288086-B1 COMPOUNDS SUCH AS 1-METHYL-4-(4-BUTOXY-BENZENESULFONYL) -PIPERIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE USED TO TREAT ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, ETC.; LOW MOLECULAR WEIGHT AND NON-PEPTIDAL AMERICAN CYANAMID COMPANY 2001-09-11 US disclosed
US-6197791-B1 ANTIARTHRITIC AGENTS; WOUND HEALING AGENTS; ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY 2001-03-06 US disclosed
EP-1054858-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED-ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2000-11-29 EP disclosed
WO-1999042436-A1 N-HYDROXY-2-(ALKYL, ARYL, OR HETEROARYL SULFANYL, SULFINYL OR SULFONYL)-3-SUBSTITUTED-ALKYL, ARYL OR HETEROARYLAMIDES AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-08-26 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-20020032186-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors MMP12, ADAM33, MMP2 MMP9 13/4885MMP13 27/4885MMP1 4/4885
US-20020188120-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl, or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors MMP12, ADAM33, MMP2 MMP9 16/4885MMP13 17/4885MMP1 8/4885

“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.