SCHEMBL3969622

SCHEMBL3969622

Cc1ccccc1S(=O)(=O)NC(CC(C)C)C(=O)O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.71
CYP2C19 P33261 1/20 0.71
ITGAV P06756 7/20 0.64
SLC1A3 P43003 1/20 0.57
SLC1A2 P43004 1/20 0.57
SLC1A1 P43005 1/20 0.57
KDM4E B2RXH2 2/20 0.56
ITGA2 P17301 1/20 0.56
MMP1 P03956 1/20 0.53
MMP2 P08253 1/20 0.53
MMP3 P08254 1/20 0.53
MMP7 P09237 1/20 0.53
MMP9 P14780 1/20 0.53
MMP13 P45452 1/20 0.53
MEN1 O00255 1/20 0.48
CYP2C9 P11712 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ITGB3 P05106 1/20 0.47
POLB P06746 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
SCHEMBL3969631 1.00 ALDH1A1 (0.71) ALDH1A1CYP2C19ITGAVSLC1A3SLC1A2
SCHEMBL7434675 0.89 ALDH1A1 (0.56) ALDH1A1CYP2C19ITGAVSLC1A3SLC1A2
Phenanthroline SCHEMBL27798788 0.86 CYP2C19 (0.56) ALDH1A1CYP2C19ITGAVSLC1A3SLC1A2
SCHEMBL27692486 0.85 ITGAV (0.67) ALDH1A1CYP2C19ITGAVSLC1A3SLC1A2
SCHEMBL3898279 0.85 ITGAV (0.67) ALDH1A1CYP2C19ITGAVSLC1A3SLC1A2
SCHEMBL7064504 0.84 POLB (0.60) ALDH1A1CYP2C19ITGAVKDM4EMMP1
SCHEMBL7065916 0.84 ALDH1A1 (0.59) ALDH1A1CYP2C19ITGAVKDM4EMMP1
SCHEMBL6669839 0.84 ITGAV (0.66) ALDH1A1CYP2C19ITGAVSLC1A3SLC1A2
SCHEMBL6669846 0.84 ITGAV (0.66) ALDH1A1CYP2C19ITGAVSLC1A3SLC1A2
SCHEMBL7264756 0.84 ALDH1A1 (0.52) ALDH1A1CYP2C19ITGAVSLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030130251-A1 Amino lactam sulfonamides as inhibitors of A-beta protein production THOMPSON LORIN A (US) 2003-07-10 US claimed
US-6503901-B1 Alzheimer*s disease and Down*s syndrome treatment BRISTOL MYERS SQUIBB PHARMA COMPANY 2003-01-07 US claimed
EP-1218377-A1 AMINO LACTAM SULFONAMIDES AS INHIBITORS OF A$g(b) PROTEIN PRODUCTION Bristol-Myers Squibb Pharma Company (US) 2002-07-03 EP claimed
WO-2001027108-A1 AMINO LACTAM SULFONAMIDES AS INHIBITORS OF Aβ PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-04-19 WO claimed
US-7579487-B2 Process for making N-sulfonated-amino acid derivatives MERCK & CO., INC. (US) 2009-08-25 US disclosed
EP-1747212-A4 PROCESS FOR MAKING N-SULFONATED-AMINO ACID DERIVATIVES MERCK & CO INC (US) 2009-03-25 EP disclosed
US-20070219382-A1 Process For Making N-Sulfonated-Amino Acid Derivatives MERCK SHARP & DOHME CORP. 2007-09-20 US disclosed
EP-1747212-A2 PROCESS FOR MAKING N-SULFONATED-AMINO ACID DERIVATIVES Merck and Co., Inc. (US) 2007-01-31 EP disclosed
WO-2005118529-A2 PROCESS FOR MAKING N-SULFONATED-AMINO ACID DERIVATIVES MERCK & CO., INC. (US) 2005-12-15 WO disclosed
US-20030130251-A1 Amino lactam sulfonamides as inhibitors of A-beta protein production THOMPSON LORIN A (US) 2003-07-10 US disclosed
US-6503901-B1 Alzheimer*s disease and Down*s syndrome treatment BRISTOL MYERS SQUIBB PHARMA COMPANY 2003-01-07 US disclosed
EP-1222176-A1 AMINO LACTAM SULFONAMIDES AS INHIBITORS OF A$g(b) PROTEIN PRODUCTION Bristol-Myers Squibb Pharma Company (US) 2002-07-17 EP disclosed
EP-1218377-A1 AMINO LACTAM SULFONAMIDES AS INHIBITORS OF A$g(b) PROTEIN PRODUCTION Bristol-Myers Squibb Pharma Company (US) 2002-07-03 EP disclosed
WO-2001027108-A1 AMINO LACTAM SULFONAMIDES AS INHIBITORS OF Aβ PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-04-19 WO disclosed
WO-2001027091-A1 AMINO LACTAM SULFONAMIDES AS INHIBITORS OF Aβ PROTEIN PRODUCTION DU PONT PHARMACEUTICALS COMPANY (US) 2001-04-19 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-20070219382-A1 Process For Making N-Sulfonated-Amino Acid Derivatives ANTXR2, STS, ASNS ALDH1A1 2796/4885CYP2C19 2175/4885ITGAV 2675/4885
US-20030130251-A1 Amino lactam sulfonamides as inhibitors of A-beta protein production APP, APH1A, BACE1 ALDH1A1 3364/4885CYP2C19 1907/4885ITGAV 4527/4885

“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.