SCHEMBL13168

SCHEMBL13168

CCOC(=O)C(=O)C1CS(=O)(=O)c2ccccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
HSD11B1 P28845 2/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
GLA P06280 1/20 0.38
ELANE P08246 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35

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
SCHEMBL30460547 1.00 CA12 (0.41) CA12CA2CA9HSD11B1ALDH1A1
SCHEMBL24189206 0.86 ALDH1A1 (0.40) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL30308350 0.86 ALDH1A1 (0.40) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL12997 0.84 MAPT (0.39) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL25883874 0.84 KMT2A (0.43) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL30308349 0.84 KMT2A (0.43) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL12890 0.83 L3MBTL1 (0.45) CA12CA2CA9ALDH1A1MAPT
SCHEMBL12647 0.83 MAPT (0.38) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL30308371 0.83 L3MBTL1 (0.45) CA12CA2CA9ALDH1A1MAPT
SCHEMBL24188920 0.82 CYP3A4 (0.36) CA12CA2CA9HSD11B1ALDH1A1

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-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-9073940-B2 Tricyclic pyrazol amine derivatives MERCK SERONO SA (CH) 2015-07-07 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
US-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2012-09-20 US disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 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-20120238545-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES PI4KB, MTOR, PI4KA CA12 4472/4885CA2 3883/4885CA9 3218/4885

“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.