SCHEMBL9969428

SCHEMBL9969428

COc1cc(CC(C)(C)C)ccc1S(N)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.47
CA2 P00918 9/20 0.43
CA1 P00915 8/20 0.43
CA9 Q16790 8/20 0.43
CA12 O43570 5/20 0.43
CA14 Q9ULX7 3/20 0.43
CA5A P35218 1/20 0.43
CA4 P22748 2/20 0.41
CA7 P43166 2/20 0.40
CYP19A1 P11511 2/20 0.39
TAAR1 Q96RJ0 2/20 0.39
TRPV4 Q9HBA0 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL19938065 0.83 PKM (0.50) PKMCA2CA1CA9CA12
SCHEMBL19853514 0.83 PKM (0.50) PKMCA2CA1CA9CA12
SCHEMBL1807393 0.83 PKM (0.50) PKMCA2CA1CA9CA12
SCHEMBL18740693 0.83 PKM (0.41) PKMCA2CA1CA9CA12
SCHEMBL1807397 0.82 PKM (0.49) PKMCA2CA1CA9CA12
SCHEMBL1807665 0.81 CA1 (0.54) PKMCA2CA1CA9CA12
SCHEMBL28110078 0.81 TAAR1 (0.63) PKMCA2CA1CA9CA12
SCHEMBL20680931 0.79 HTR7 (0.48) PKMCA2CA1CA9CA12
SCHEMBL14076226 0.79 FOS (0.47) PKMCA2CA1CA9CA12
SCHEMBL30567326 0.79 HTR7 (0.48) PKMCA2CA1CA9CA12

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 PKM 2442/4885CA2 2606/4885CA1 1794/4885
US-20120252747-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 PKM 2442/4885CA2 2606/4885CA1 1794/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC PKM 2097/4885CA2 3768/4885CA1 2393/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 PKM 2442/4885CA2 2606/4885CA1 1794/4885

“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.