SCHEMBL9969388

SCHEMBL9969388

CC(C)(C)CCc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.44
ENPP2 Q13822 1/20 0.43
KCNJ1 P48048 1/20 0.43
KCNH2 Q12809 1/20 0.43
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
CA2 P00918 1/20 0.41
SLC6A2 P23975 1/20 0.41
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
PTGS2 P35354 1/20 0.40

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
SCHEMBL21667288 0.83 SLC6A2 (0.36) CA2SLC6A2MMP12MMP13
SCHEMBL19599275 0.82 ALDH1A1 (0.52) CA2SLC6A2MMP12MMP13
SCHEMBL658697 0.82 LMNA (0.43) CA2SLC6A2MMP12MMP13
SCHEMBL8260632 0.82 CA2 (0.63) CA2
SCHEMBL18923481 0.82 CA2 (0.40) CA2SLC6A2MMP12MMP13
SCHEMBL19604291 0.79 GRIA4 (0.41) CA2SLC6A2MMP12MMP13
SCHEMBL2600037 0.79 ESR1 (0.50) ENPP2KCNJ1KCNH2EPHX2NR1H4
SCHEMBL8306535 0.79 EPHX2 (0.43) TMEM97ENPP2KCNJ1KCNH2EPHX2
SCHEMBL8566646 0.79 EPHX2 (0.43) TMEM97ENPP2KCNJ1KCNH2EPHX2
SCHEMBL6793165 0.77 CA2 (0.67) ENPP2KCNJ1KCNH2CA2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10458995-B2 Combinatorial synthesis and biomarker development TEN30 BIOSCIENCES, INC. 2019-10-29 US disclosed
US-20190113521-A1 COMBINATORIAL SYNTHESIS AND BIOMARKER DEVELOPMENT TEN30 BIOSCIENCES, INC. 2019-04-18 US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20150316849-A1 RESIST UNDERLAYER FILM FORMING COMPOSITION CONTAINING SILICON HAVING ESTER GROUP NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-11-05 US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-20120270741-A1 BIOMARKER DISCOVERY IN COMPLEX BIOLOGICAL FLUID USING BEAD OR PARTICLE BASED LIBRARIES AND DIAGNOSTIC KITS AND THERAPEUTICS OPKO PHARMACEUTICALS, LLC 2012-10-25 US disclosed
US-20120270741-A1 BIOMARKER DISCOVERY IN COMPLEX BIOLOGICAL FLUID USING BEAD OR PARTICLE BASED LIBRARIES AND DIAGNOSTIC KITS AND THERAPEUTICS OPKO PHARMACEUTICALS, LLC 2012-10-25 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2012-10-04 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 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 (7 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-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 TMEM97 4031/4885ENPP2 1958/4885KCNJ1 4321/4885
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 TMEM97 4031/4885ENPP2 1958/4885KCNJ1 4321/4885
US-20120270741-A1 BIOMARKER DISCOVERY IN COMPLEX BIOLOGICAL FLUID USING BEAD OR PARTICLE BASED LIBRARIES AND DIAGNOSTIC KITS AND THERAPEUTICS PMP22, TNFSF11, SELPLG TMEM97 1200/4885ENPP2 416/4885KCNJ1 4604/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC TMEM97 3923/4885ENPP2 504/4885KCNJ1 3635/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 TMEM97 4031/4885ENPP2 1958/4885KCNJ1 4321/4885
US-20190113521-A1 COMBINATORIAL SYNTHESIS AND BIOMARKER DEVELOPMENT APP, PSEN2, PSEN1 TMEM97 4766/4885ENPP2 2286/4885KCNJ1 4880/4885
US-10458995-B2 Combinatorial synthesis and biomarker development APP, PSEN2, PSEN1 TMEM97 4765/4885ENPP2 2245/4885KCNJ1 4880/4885

“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.