SCHEMBL12997

SCHEMBL12997

CCOC(=O)C(=O)C1CS(=O)(=O)c2cc(F)ccc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
PTPN1 P18031 1/20 0.34
MAPK14 Q16539 1/20 0.34
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL12647 0.92 MAPT (0.38) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL24189206 0.88 ALDH1A1 (0.40) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL30308350 0.88 ALDH1A1 (0.40) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL25883874 0.86 KMT2A (0.43) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL30308349 0.86 KMT2A (0.43) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL30308371 0.85 L3MBTL1 (0.45) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL12890 0.85 L3MBTL1 (0.45) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL13168 0.84 CA12 (0.41) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL30460547 0.84 CA12 (0.41) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL12275818 0.81 PTGDR2 (0.32) KMT2APTGDR2

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 MAPT 965/4885MEN1 1024/4885KMT2A 936/4885

“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.