SCHEMBL3614979

SCHEMBL3614979

Cc1ccc(S(=O)(=O)OCCN(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.49
CA9 Q16790 3/20 0.49
CA2 P00918 2/20 0.49
ALOX15 P16050 1/20 0.47
CA1 P00915 2/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
STAT3 P40763 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
UTS2R Q9UKP6 1/20 0.40
C5AR1 P21730 1/20 0.40
AGER Q15109 1/20 0.40
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39

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
Hydrochloric Acid SCHEMBL28936935 0.98 ALOX15 (0.50) CA12CA9CA2ALOX15CA1
SCHEMBL28721741 0.95 CA12 (0.45) CA12CA9CA2ALOX15CA1
SCHEMBL20438627 0.90 CA12 (0.44) CA12CA9CA2ALOX15CA1
SCHEMBL995109 0.90 CA12 (0.54) CA12CA9CA2ALOX15CA1
SCHEMBL13817382 0.89 CYP2D6 (0.43) CA12CA9CA2ALOX15CA1
Ammonia Solution, Strong SCHEMBL28996333 0.88 CA12 (0.53) CA12CA9CA2ALOX15CA1
SCHEMBL12378540 0.85 ALDH1A1 (0.42) CA12CA9CA2ALOX15CA1
SCHEMBL2336434 0.85 MAPT (0.46) CA12CA9MAPTMCOLN3C5AR1
SCHEMBL241884 0.85 CA1 (0.52) CA12CA9CA2CA1GAA
SCHEMBL2335489 0.83 GLA (0.50) CA12CA9CA1MAPTMCOLN3

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009957-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK SHARP & DOHME CORP. 2010-01-14 US disclosed
US-20100009957-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK SHARP & DOHME CORP. 2010-01-14 US disclosed
US-20100009957-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK SHARP & DOHME CORP. 2010-01-14 US disclosed
EP-2069347-A2 NOVEL INHIBITORS OF BETA-LACTAMASE Merck & Co., Inc. (US) 2009-06-17 EP disclosed
WO-2008039420-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-04-03 WO disclosed
WO-2008039420-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-04-03 WO disclosed
US-7232825-B2 Phenylaminopyrimidine derivatives and methods of use CHEN GUOQING P 2007-06-19 US disclosed
US-7232825-B2 Phenylaminopyrimidine derivatives and methods of use CHEN GUOQING P 2007-06-19 US disclosed
EP-0897379-B1 PROCESS FOR CONVERTING A GEMINALLY SUBSTITUTED CYCLOPENTADIENE DSM NV (NL) 2001-10-31 EP disclosed
US-6137019-A Process for converting a geminally substituted cyclopentadiene DSM N.V. (NL) 2000-10-24 US disclosed
WO-1997042160-A1 CYCLOPENTADIENE COMPOUND WHEREIN TWO OR THREE HETERO ATOMS ARE PRESENT IN THE SUBSTITUENTS DSM N.V. (NL) 1997-11-13 WO disclosed
WO-1997042162-A1 CYCLOPENTADIENE COMPOUND SUBSTITUTED WITH BRANCHED ALKYL GROUPS DSM N.V. (NL) 1997-11-13 WO disclosed
WO-1997042151-A1 CYCLOPENTADIENE COMPOUND SUBSTITUTED BY CHIRAL GROUPS DSM N.V. (NL) 1997-11-13 WO disclosed
WO-1997042241-A1 PROCESS FOR THE PREPARATION OF AN ETHYLENE AND α-OLEFIN COPOLYMER DSM N.V. (NL) 1997-11-13 WO disclosed
WO-1997042165-A1 FLUORENE SUBSTITUTED WITH A GROUP COMPRISING A HETERO ATOM DSM N.V. (NL) 1997-11-13 WO disclosed
WO-1997042164-A1 INDENE SUBSTITUTED WITH A GROUP COMPRISING A HETERO ATOM DSM N.V. (NL) 1997-11-13 WO disclosed
WO-1997042147-A1 CYCLOPENTADIENE COMPOUND SUBSTITUTED BY ARALKYL GROUPS DSM N.V. (NL) 1997-11-13 WO disclosed
EP-0805142-A1 Cyclopentadiene compound substituted with a hetero atom-containing group DSM N.V. (NL) 1997-11-05 EP disclosed
US-5683856-A CATIONIC AMMONIUM RESIN, ACID GENERATOR, DISSOLUTION INHIBITION FUJI PHOTO FILM CO., LTD. (JP) 1997-11-04 US disclosed
EP-0708368-A1 Positive-working photosensitive composition FUJI PHOTO FILM CO., LTD. (JP) 1996-04-24 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 (1 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-20100009957-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, SI, MGAM2 CA12 2169/4885CA9 556/4885CA2 869/4885

“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.