SCHEMBL17846254

SCHEMBL17846254

CS(=O)(=O)OC1CCCC1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 3/20 0.47
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
FABP5 Q01469 6/20 0.43
FABP7 O15540 4/20 0.43
FABP3 P05413 3/20 0.43
TACR1 P25103 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KDM1A O60341 1/20 0.38
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL17846252 1.00 GRIA4 (0.47) GRIA4CYP3A4CYP2C19FABP5FABP7
SCHEMBL17846250 1.00 GRIA4 (0.47) GRIA4CYP3A4CYP2C19FABP5FABP7
SCHEMBL1977211 0.75 CHRNB2 (0.46) HPGDALDH1A1MEN1KMT2A
SCHEMBL6977004 0.75 CHRNB2 (0.46) HPGDALDH1A1MEN1KMT2A
SCHEMBL1977210 0.75 CHRNB2 (0.46) HPGDALDH1A1MEN1KMT2A
SCHEMBL19368106 0.74 KDM4E (0.37) GRIA4CYP3A4CYP2C19KDM4EMAPT
SCHEMBL7274841 0.73 FABP5 (0.57) GRIA4FABP5FABP7FABP3KDM4E
SCHEMBL14779748 0.73 ACHE (0.37)
SCHEMBL14671354 0.73 ACHE (0.37)
SCHEMBL22547094 0.73 FABP5 (0.49) FABP5FABP7FABP3TACR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233858-B1 ERK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 EP disclosed
US-9884048-B2 ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-06 US disclosed
EP-3233858-A1 ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-25 EP disclosed
US-20170266167-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-09-21 US disclosed
WO-2016100050-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO disclosed
WO-2016095089-A1 ERK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-23 WO 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 (1 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-20170266167-A1 ERK INHIBITORS MAPK1, MAPK3, MAPK6 GRIA4 3270/4885CYP3A4 776/4885CYP2C19 423/4885

“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.