SCHEMBL10309404

SCHEMBL10309404

Cc1cc(C)c(NS(=O)(=O)O)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 12/20 0.57
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA3 P34903 1/20 0.49
RAPGEF4 Q8WZA2 1/20 0.48
KMT2A Q03164 1/20 0.47
CYTH2 Q99418 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
ALDH1A1 P00352 1/20 0.45
METAP2 P50579 1/20 0.45
PTGES O14684 1/20 0.44

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
SCHEMBL28195816 0.82 FFAR4 (0.59) FFAR4GABRG2GABRB3GABRA3KMT2A
SCHEMBL4804177 0.79 FFAR4 (0.59) FFAR4GABRG2GABRB3GABRA3RAPGEF4
SCHEMBL812692 0.77 CA1 (0.63) FFAR4GABRG2GABRB3GABRA3KMT2A
SCHEMBL27960832 0.77 LMNA (0.42) FFAR4KMT2ACYTH2CA1CA2
SCHEMBL3371346 0.77 TSHR (0.53) FFAR4KMT2ACYTH2ALDH1A1
Sulfuric Acid SCHEMBL28200703 0.76 RAPGEF4 (0.46) FFAR4GABRG2GABRB3GABRA3RAPGEF4
SCHEMBL4800721 0.76 FFAR4 (0.55) FFAR4GABRG2GABRB3GABRA3RAPGEF4
SCHEMBL7258962 0.74 MAPT (0.42) KMT2ACA1CA2MMP1MMP2
SCHEMBL28314827 0.73 FFAR4 (0.44) FFAR4GABRG2GABRB3GABRA3ALDH1A1
SCHEMBL27947222 0.73 MAPT (0.41) KMT2ACA1CA2MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072759-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2018-03-15 US disclosed
US-9856274-B2 Substituted pyrazolo[1,5-a]pyridines as PDE-10 inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2018-01-02 US disclosed
US-20160102106-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2016-04-14 US disclosed
US-9249162-B2 Substituted [1,2,4]triazolo[1,5-a]pyridines as PDE-10 inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2016-02-02 US disclosed
US-20140288062-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2014-09-25 US disclosed
US-8765760-B2 [1,2,4] triazol [1,5-a] pyrazines useful as inhibitors of phosphodiesterases SUNOVION PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-20120178748-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-07-12 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-20120178748-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GPR119, NLN FFAR4 1202/4885GABRG2 390/4885GABRB3 311/4885
US-20180072759-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GPR119, NLN FFAR4 1202/4885GABRG2 390/4885GABRB3 311/4885
US-20140288062-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GPR119, NLN FFAR4 1202/4885GABRG2 390/4885GABRB3 311/4885
US-20160102106-A1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF COMT, GPR119, NLN FFAR4 1202/4885GABRG2 390/4885GABRB3 311/4885

“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.