SCHEMBL5442172

SCHEMBL5442172

CC1(C)C2CC[C@]1(CS(N)(=O)=O)C(=O)C2

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.68
F2 P00734 2/20 0.66
PRSS1 P07477 2/20 0.66
PRSS2 P07478 2/20 0.66
PRSS3 P35030 2/20 0.66
ALDH1A1 P00352 2/20 0.63
CA1 P00915 10/20 0.60
CA2 P00918 10/20 0.60
CA5A P35218 10/20 0.60
CA5B Q9Y2D0 10/20 0.60
MEN1 O00255 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58
KDM4E B2RXH2 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL15172850 1.00 KMT2A (0.68) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL1696817 1.00 KMT2A (0.68) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL2385301 1.00 KMT2A (0.68) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL2387335 1.00 KMT2A (0.68) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL4484995 1.00 KMT2A (0.68) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL1362019 0.85 KMT2A (0.70) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL12705857 0.85 KMT2A (0.70) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL10000728 0.85 KMT2A (0.70) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL5960692 0.85 KMT2A (0.70) KMT2AF2PRSS1PRSS2PRSS3
SCHEMBL863312 0.85 KMT2A (0.70) KMT2AF2PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1082291-B1 CHEMICAL PROCESS FOR THE STEREOSELECTIVE SYNTHESIS OF R-(-)-CARNITINE SIGMA TAU IND FARMACEUTI (IT) 2004-09-08 EP claimed
US-6420599-B2 CHARACTERIZING STEP IS THE CONDENSATION OF GLYCEROL WITH (-)CAMPHORSULFONAMIDE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2002-07-16 US claimed
US-20010003135-A1 Chemical process for the stereoselective synthesis of R-(-)- carnitine SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2001-06-07 US claimed
CN-116554066-A Method for synthesizing N- (hetero) aryl sulfonamide compound 陕西师范大学 2023-08-08 CN disclosed
EP-3172264-B1 NOVEL POLYMERS CONTAINING GRAFTED BIS(SULFONYL)IMIDE SODIUM OR LITHIUM SALTS TO THE METHODS FOR THE PRODUCTION THEREOF, AND TO THE USES OF SAME AS ELECTROLYTES FOR BATTERIES CDP INNOVATION (FR) 2021-06-16 EP disclosed
US-10676484-B2 Compositions and methods for treating leukemia DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-06-09 US disclosed
US-10141603-B2 Polymers containing grafted bis(sulfonyl)imide sodium or lithium salts, methods for production thereof and uses of same as electrolytes for batteries CPD INNOVATION (FR) 2018-11-27 US disclosed
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA COLD SPRING HARBOR LABORATORY 2018-08-09 US disclosed
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA COLD SPRING HARBOR LABORATORY 2018-08-09 US disclosed
US-20170360801-A1 BROMODOMAIN INHIBITOR AS ADJUVANT IN CANCER IMMUNOTHERAPY H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-12-21 US disclosed
US-20170360801-A1 BROMODOMAIN INHIBITOR AS ADJUVANT IN CANCER IMMUNOTHERAPY H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-12-21 US disclosed
US-20130210813-A1 Male Contraceptive Compositions and Methods of Use DANA-FARBER CANCER INSTITUTE, INC. 2013-08-15 US disclosed
US-20070010676-A1 Stereospecific enrichment of heterocyclic enantiomers R.T. ALAMO VENTURES I, LLC 2007-01-11 US disclosed
US-7084275-B2 Stereospecific enrichment of heterocyclic enantiomers R. T. ALAMO VENTURES I, LLC (US) 2006-08-01 US disclosed
US-20040215016-A1 Stereospecific enrichment of heterocyclic enantiomers R.T. ALAMO VENTURES I, LLC 2004-10-28 US disclosed
EP-1082291-B1 CHEMICAL PROCESS FOR THE STEREOSELECTIVE SYNTHESIS OF R-(-)-CARNITINE SIGMA TAU IND FARMACEUTI (IT) 2004-09-08 EP disclosed
US-6649764-B2 Racemization of flusequinan using triphenylphosphine and 10-camphorsulfonyl-oxaziridine to form racemic mixtures R. T. ALAMO VENTURES I, LLC 2003-11-18 US disclosed
US-20030120075-A1 Stereospecific enrichment of heterocyclic enantiomers R.T. ALAMO ADVENTURES I, LLC 2003-06-26 US disclosed
US-6420599-B2 CHARACTERIZING STEP IS THE CONDENSATION OF GLYCEROL WITH (-)CAMPHORSULFONAMIDE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2002-07-16 US disclosed
US-20010003135-A1 Chemical process for the stereoselective synthesis of R-(-)- carnitine SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2001-06-07 US 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 (8 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-20010003135-A1 Chemical process for the stereoselective synthesis of R-(-)- carnitine CRAT, COASY, CPT1B KMT2A 3280/4885F2 3975/4885PRSS1 947/4885
US-10676484-B2 Compositions and methods for treating leukemia MCL1, ABL1, FLT3 KMT2A 231/4885F2 2807/4885PRSS1 4055/4885
US-20130210813-A1 Male Contraceptive Compositions and Methods of Use SHBG, CYP19A1, CYP17A1 KMT2A 2696/4885F2 156/4885PRSS1 2858/4885
US-20070010676-A1 Stereospecific enrichment of heterocyclic enantiomers CBR3, CBR1, QDPR KMT2A 3308/4885F2 4715/4885PRSS1 3585/4885
US-20170360801-A1 BROMODOMAIN INHIBITOR AS ADJUVANT IN CANCER IMMUNOTHERAPY BRDT, BRD4, BRD1 KMT2A 415/4885F2 4718/4885PRSS1 1451/4885
US-20180222917-A1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA MCL1, ABL1, FLT3 KMT2A 231/4885F2 2807/4885PRSS1 4055/4885
US-20040215016-A1 Stereospecific enrichment of heterocyclic enantiomers CBR3, POR, CBR1 KMT2A 3103/4885F2 4694/4885PRSS1 3447/4885
US-20030120075-A1 Stereospecific enrichment of heterocyclic enantiomers CBR3, POR, CBR1 KMT2A 3103/4885F2 4694/4885PRSS1 3447/4885

“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.