SCHEMBL9969508

SCHEMBL9969508

CC(C)(C)C(Cc1ccc(S(N)(=O)=O)cc1)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.52
CA1 P00915 14/20 0.52
CA7 P43166 9/20 0.52
CA14 Q9ULX7 9/20 0.52
CA12 O43570 6/20 0.50
CA9 Q16790 6/20 0.50
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA4 P22748 5/20 0.47
CA6 P23280 4/20 0.47
CA5A P35218 4/20 0.47
CA5B Q9Y2D0 4/20 0.47
CA3 P07451 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
EPHX2 P34913 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
MAPT P10636 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
SCHEMBL5608948 0.80 SLC7A5 (0.49) CA2
SCHEMBL15881217 0.79 CA2 (0.53) CA2CA1CA7CA14CA12
SCHEMBL19938091 0.79 CA2 (0.53) CA2CA1CA7CA14CA12
SCHEMBL15426320 0.78 EPHX1 (0.53)
SCHEMBL14591098 0.78 EPHX1 (0.53)
SCHEMBL28474974 0.78 CA2 (0.47) CA2CA1CA7CA14CA12
SCHEMBL16788786 0.77 LOXL2 (0.46) KDM4ESMN1; SMN2MAPT
SCHEMBL16093333 0.77 CA2 (0.54) CA2CA1CA7CA14CA12
SCHEMBL19941420 0.77 CA2 (0.54) CA2CA1CA7CA14CA12
SCHEMBL20589394 0.76 LDHA (0.56) CA2CA1

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-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-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-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 (4 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 CA2 2606/4885CA1 1794/4885CA7 2319/4885
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 CA2 2606/4885CA1 1794/4885CA7 2319/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC CA2 3768/4885CA1 2393/4885CA7 3407/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 CA2 2606/4885CA1 1794/4885CA7 2319/4885

“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.