Sugi Predict

Sugi Predict / Compounds / SCHEMBL7415470

SCHEMBL7415470

SCHEMBL7415470

CCOC(=O)C1(S(=O)(=O)c2ccc(OCc3ccccc3)cc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.80
▸ CYP2D6 P10635 2/20 0.80
▸ CYP2C9 P11712 2/20 0.80
▸ CYP2C19 P33261 2/20 0.80
▸ KMT2A Q03164 4/20 0.78
▸ ALDH1A1 P00352 3/20 0.78
▸ SMN1; SMN2 Q16637 3/20 0.78
▸ MEN1 O00255 3/20 0.78
▸ MMP1 P03956 11/20 0.72
▸ MMP9 P14780 11/20 0.72
▸ MMP13 P45452 11/20 0.72
▸ ADAM17 P78536 11/20 0.72
▸ HTT P42858 2/20 0.71
▸ LMNA P02545 1/20 0.71
▸ GAA P10253 1/20 0.71
▸ L3MBTL1 Q9Y468 1/20 0.71
▸ NPSR1 Q6W5P4 2/20 0.69
▸ CYP1A2 P05177 1/20 0.69
▸ ADAMTS4 O75173 1/20 0.55
▸ MMP2 P08253 1/20 0.55

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
SCHEMBL6567108 0.91 CYP3A4 (0.79) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL6565432 0.90 CYP3A4 (0.84) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL7408152 0.89 CYP3A4 (0.74) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL7411339 0.88 MMP1 (0.76) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL6263497 0.88 ADAM17 (0.76) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL7412158 0.87 MMP13 (0.80) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL7410572 0.87 ALDH1A1 (0.90) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL7953288 0.85 MEN1 (0.75) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL6568555 0.84 MMP1 (0.76) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL6566808 0.84 CYP3A4 (0.80) CYP3A4CYP2D6CYP2C9CYP2C19KMT2A

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
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-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
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 CYP3A4 1293/4885CYP2D6 1899/4885CYP2C9 2518/4885
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 CYP3A4 1200/4885CYP2D6 1665/4885CYP2C9 2478/4885
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 CYP3A4 1292/4885CYP2D6 1799/4885CYP2C9 2804/4885

“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.