SCHEMBL4098679

SCHEMBL4098679

COCCCS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
LMNA P02545 3/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 3/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49
NPC1 O15118 1/20 0.47
MAPT P10636 2/20 0.47
KCNH2 Q12809 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
MCHR1 Q99705 1/20 0.45
PNMT P11086 1/20 0.45
MEN1 O00255 1/20 0.44
PAX8 Q06710 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL564467 0.89 ALDH1A1 (0.64) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL1820762 0.84 ALDH1A1 (1.00) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL1582969 0.84 ALDH1A1 (0.91) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL10411833 0.84 ALDH1A1 (0.59) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL1940015 0.84 PLCG1 (0.52) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL4098675 0.84 ALDH1A1 (0.69) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL14081009 0.83 MAPK1 (0.57) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL16874960 0.82 ALDH1A1 (0.56) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL3198374 0.82 ALDH1A1 (0.56) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA
SCHEMBL5672462 0.82 ALDH1A1 (0.56) ALDH1A1CYP3A4CYP2C9CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130149239-A1 5-PYRROLIDINYLSULFONYL-ISATIN DERIVATIVES UNIVERSITATSKLINIKUM MUNSTER (DE) 2013-06-13 US disclosed
US-8440841-B2 5-pyrrolidinylsulfonyl isatin derivatives Universitätsklinikum Münster (DE) 2013-05-14 US disclosed
US-20090041664-A1 5-Pyrrolidinylsulfonyl Isatin Derivatives UNIVERSITATSKLINIKUM MUNSTER (DE) 2009-02-12 US disclosed
EP-1841759-A2 5-PYRROLIDINYLSULFONYL ISATIN DERIVATIVES Universitätsklinikum Münster (DE) 2007-10-10 EP disclosed
WO-2006074799-A2 5-PYRROLIDINYLSULFONYL ISATIN DERIVATIVES Universitätsklinikum Münster (DE) 2006-07-20 WO disclosed
EP-0673432-B1 PROCESS FOR PREPARING CLAVULANIC ACID SMITHKLINE BEECHAM PLC (GB) 1999-03-24 EP disclosed
US-5869299-A USING AN ENZYME SYSTEM FROM STREPTOMYCES, PARTICULARLY S. CLAVULIGERUS. SMITHKLINE BEECHAM P.L.C. (GB) 1999-02-09 US disclosed
WO-1994012654-A1 PROCESS FOR PREPARING CLAVULANIC ACID SMITHKLINE BEECHAM PLC (GB) 1994-06-09 WO disclosed
EP-0521887-A1 CEPHALOSPORINS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Beecham Group p.l.c. (GB) 1993-01-13 EP disclosed
WO-1991014692-A1 CEPHALOSPORINS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1991-10-03 WO disclosed
EP-0166377-A1 Process for the preparation of beta-lactam compounds and intermediates therefor BEECHAM GROUP PLC (GB) 1986-01-02 EP disclosed
EP-0044170-A1 Beta-lactam antibiotics, their preparation and use BEECHAM GROUP PLC (GB) 1982-01-20 EP 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-20130149239-A1 5-PYRROLIDINYLSULFONYL-ISATIN DERIVATIVES CASP5, SLC1A5, CTSZ ALDH1A1 3602/4885CYP3A4 1328/4885CYP2C9 1016/4885
US-20090041664-A1 5-Pyrrolidinylsulfonyl Isatin Derivatives CASP5, CTSZ, CTSS ALDH1A1 3509/4885CYP3A4 1238/4885CYP2C9 879/4885

“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.