SCHEMBL17492385

SCHEMBL17492385

CCC(CC)[C@@H](CO)NS(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
ADAMTS4 O75173 3/20 0.47
MMP2 P08253 4/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
ALDH1A1 P00352 4/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP3A4 P08684 1/20 0.43
MMP9 P14780 3/20 0.43
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MMP1 P03956 2/20 0.43
MMP13 P45452 2/20 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
SCHEMBL5500999 0.86 CA1 (0.55) SMN1; SMN2ADAMTS4MMP2CA12CA9
SCHEMBL1716735 0.84 MMP2 (0.49) SMN1; SMN2MMP2CA12CA9CA14
SCHEMBL1716737 0.84 MMP2 (0.49) SMN1; SMN2MMP2CA12CA9CA14
SCHEMBL6368625 0.80 SMN1; SMN2 (0.54) SMN1; SMN2ADAMTS4MMP2CA12CA9
SCHEMBL5498970 0.79 SLC1A3 (0.47) ALDH1A1SLC1A3SLC1A2SLC1A1L3MBTL1
SCHEMBL6364261 0.77 MMP2 (0.46) SMN1; SMN2ADAMTS4MMP2CA12CA9
SCHEMBL14401877 0.77 SMN1; SMN2 (0.48) SMN1; SMN2ADAMTS4MMP2CA12CA9
SCHEMBL3202961 0.77 S1PR1 (0.46) SMN1; SMN2MMP2CA12CA9CA14
SCHEMBL3193321 0.77 MMP2 (0.44) SMN1; SMN2MMP2CA12CA9CA14
SCHEMBL30786034 0.76 MMP2 (0.45) SMN1; SMN2ADAMTS4MMP2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3768669-A1 PIPERAZINE AZASPIRO DERIVAVES Pfizer Inc (US) 2021-01-27 EP disclosed
EP-3642202-A1 DIHYDRO-PYRROLO-PYRIDINE DERIVATIVES Pfizer Inc (US) 2020-04-29 EP disclosed
WO-2019183636-A1 PIPERAZINE AZASPIRO DERIVAVES PFIZER INC. (US) 2019-09-26 WO disclosed
EP-3478679-A1 5,7-DIHYDRO-PYRROLO-PYRIDINE DERIVATIVES FOR TREATING NEUROLOGICAL AND NEURODEGENERATIVE DISEASES Pfizer Inc (US) 2019-05-08 EP disclosed
EP-3419979-A1 6,7-DIHYDRO-5H-PYRAZOLO[5,1-B][1,3]OXAZINE-2-CARBOXAMIDE COMPOUNDS Pfizer Inc (US) 2019-01-02 EP disclosed
WO-2018234953-A1 DIHYDRO-PYRROLO-PYRIDINE DERIVATIVES PFIZER INC. (US) 2018-12-27 WO disclosed
WO-2018002760-A1 5,7-DIHYDRO-PYRROLO-PYRIDINE DERIVATIVES FOR TREATING NEUROLOGICAL AND NEURODEGENERATIVE DISEASES PFIZER INC. (US) 2018-01-04 WO disclosed
WO-2017145013-A1 6,7-DIHYDRO-5H-PYRAZOLO[5,1-B][1,3]OXAZINE-2-CARBOXAMIDE COMPOUNDS PFIZER INC. (US) 2017-08-31 WO disclosed
EP-3177624-A1 IMIDAZOPYRIDAZINE COMPOUNDS Pfizer Inc (US) 2017-06-14 EP disclosed
WO-2016020786-A1 IMIDAZOPYRIDAZINE COMPOUNDS PFIZER INC. (US) 2016-02-11 WO disclosed