SCHEMBL6501664

SCHEMBL6501664

CCC(S)(CC)[C@H](N)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPT P10636 1/20 0.56
SLC7A11 Q9UPY5 1/20 0.37
SLC1A3 P43003 3/20 0.35
SLC1A2 P43004 3/20 0.35
SLC1A1 P43005 3/20 0.35
SLC7A5 Q01650 2/20 0.34
ENPEP Q07075 4/20 0.34
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 1/20 0.33
KIF11 P52732 1/20 0.33
GRIA4 P48058 1/20 0.32
GRIK3 Q13003 1/20 0.32
GRIK5 Q16478 1/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL6261780 1.00 PTGS1 (0.56) PTGS1ALDH1A1MAPTSLC7A11SLC1A3
Hydrochloric Acid SCHEMBL6342365 0.98 PTGS1 (0.54) PTGS1ALDH1A1MAPTSLC7A11SLC1A3
SCHEMBL6262540 0.87 PTGS1 (0.48) PTGS1ALDH1A1MAPTSLC7A11SLC1A3
Hydrochloric Acid SCHEMBL6342795 0.86 PTGS1 (0.47) PTGS1ALDH1A1MAPTSLC7A11SLC1A3
SCHEMBL6262870 0.84 MAPT (0.45) PTGS1ALDH1A1MAPTSLC1A3SLC1A2
Hydrochloric Acid SCHEMBL6353966 0.82 MAPT (0.44) PTGS1ALDH1A1MAPTSLC1A3SLC1A2
SCHEMBL6262487 0.82 PTGS1 (0.52) PTGS1ALDH1A1MAPTSLC7A11SLC1A3
SCHEMBL22836202 0.81 PTGS1 (0.56) PTGS1ALDH1A1MAPTSLC7A11SLC1A3
Hydrochloric Acid SCHEMBL6341141 0.80 PTGS1 (0.50) PTGS1ALDH1A1MAPTSLC7A11SLC1A3
SCHEMBL4768361 0.79 PTGS1 (0.60) PTGS1ALDH1A1MAPTSLC7A11SLC1A3

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-20050113346-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors WYETH HOLDINGS CORPORATION 2005-05-26 US disclosed
US-6812227-B2 SULFUR COMPOUNDS SUCH AS 2-((4-BUT-2-YNYLOXY-BENZENESULFONYL)-METHYL-AMINO)-N-HYDROXY-3-METHYL -BUTYRAMIDE, USED AS TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME (TACE) INHIBITORS, FOR PROPHYLAXIS OF RHEUMATIC DISEASES, SEPSIS OR INFLAMMATION WYETH HOLDINGS CORPORATION 2004-11-02 US disclosed
EP-1144368-B1 ACETYLENIC ALPHA-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS WYETH CORP (US) 2004-07-14 EP disclosed
US-6716833-B2 RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, SEPSIS, AIDS, ULCERATIVE COLITIS, MULTIPLE SCLEROSIS, CROHN'S DISEASE AND DEGENERATIVE CARTILAGE LOSS. WYETH HOLDINGS CORPORATION 2004-04-06 US disclosed
US-20040033988-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors WYETH (US) 2004-02-19 US disclosed
US-20030212049-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors WYETH (US) 2003-11-13 US disclosed
US-20030008849-A1 Acetylenic alpha -amino acid-based sulfonamide hydroxamic acid tace inhibitors LEVIN JEREMY I (US) 2003-01-09 US disclosed
EP-1144368-A2 ACETYLENIC ALPHA-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID TACE INHIBITORS American Cyanamid Company (US) 2001-10-17 EP disclosed
US-6225311-B1 Acetylenic α-amino acid-based sulfonamide hydroxamic acid tace inhibitors AMERICAN CYANAMID COMPANY 2001-05-01 US disclosed
WO-2000044709-A2 ACETYLENIC α-AMINO ACID-BASED SULFONAMIDE HYDROXAMIC ACID 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 (4 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-20030008849-A1 Acetylenic alpha -amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 PTGS1 173/4885ALDH1A1 716/4885MAPT 2138/4885
US-20040033988-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 PTGS1 173/4885ALDH1A1 716/4885MAPT 2138/4885
US-20030212049-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, TASP1 PTGS1 173/4885ALDH1A1 716/4885MAPT 2138/4885
US-20050113346-A1 Acetylenic alpha-amino acid-based sulfonamide hydroxamic acid tace inhibitors TNF, SI, MMP12 PTGS1 255/4885ALDH1A1 1103/4885MAPT 1753/4885

“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.