SCHEMBL7413557

SCHEMBL7413557

Cc1ccc(CN2CCC(C(=O)O)CC2S(=O)(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.50
MMP13 P45452 3/20 0.50
ADAM17 P78536 3/20 0.50
MMP9 P14780 1/20 0.50
SPHK1 Q9NYA1 2/20 0.46
HRH3 Q9Y5N1 2/20 0.45
ADAMTS4 O75173 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
S1PR5 Q9H228 3/20 0.42
FFAR2 O15552 1/20 0.42
CCR5 P51681 1/20 0.41
S1PR1 P21453 1/20 0.41

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
SCHEMBL7507039 0.90 MMP1 (0.48) MMP1MMP13ADAM17MMP9SPHK1
SCHEMBL8003950 0.90 MMP1 (0.54) MMP1MMP13ADAM17MMP9SPHK1
SCHEMBL7506020 0.88 S1PR5 (0.53) MMP1MMP13ADAM17MMP9SPHK1
SCHEMBL27555705 0.87 S1PR5 (0.54) MMP1MMP13ADAM17MMP9HRH3
SCHEMBL7407350 0.86 MMP1 (0.48) MMP1MMP13ADAM17MMP9HRH3
SCHEMBL7619211 0.79 S1PR5 (0.53) MMP1MMP13ADAM17MMP9HRH3
SCHEMBL7555893 0.79 S1PR5 (0.53) MMP1MMP13ADAM17MMP9HRH3
SCHEMBL7512543 0.78 TAS2R14 (0.50) MMP1MMP13ADAM17MMP9NPC1
Hydroxyamine SCHEMBL7463488 0.78 S1PR5 (0.52) MMP1MMP13ADAM17MMP9HRH3
SCHEMBL7580801 0.77 MMP9 (0.48) MMP1MMP13ADAM17MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1213021-C N-hydroxy-2- (alkyl, aryl or heteroaryl sulfanyl, sulfinyl or sulfonyl) -3-substituted alkanes as matrix metalloproteinase inhibitors WYETH HOLDING CO (US) 2005-08-03 CN disclosed
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-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-20020006922-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) 2002-01-17 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
CN-1291183-A N-hydroxy-2- (alkyl, aryl or heteroaryl sulfanyl, sulfinyl or sulfonyl) -3 substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors AMERICAN CYANAMID CO (US) 2001-04-11 CN 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 (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-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 MMP1 4/4885MMP13 27/4885ADAM17 5/4885
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 MMP1 8/4885MMP13 17/4885ADAM17 6/4885
US-20020006922-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 MMP1 7/4885MMP13 15/4885ADAM17 5/4885

“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.