SCHEMBL6985

SCHEMBL6985

CCOC(=O)C(=O)C1CSc2cc(OC(F)(F)F)ccc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TGM2 P21980 1/20 0.34
ELANE P08246 2/20 0.34
SCN9A Q15858 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
BACE1 P56817 1/20 0.34
SMURF2 Q9HAU4 1/20 0.34
SMURF1 Q9HCE7 1/20 0.34
FFAR4 Q5NUL3 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
SCHEMBL12449793 0.93 ALDH1A1 (0.34) POLBPKMALDH1A1KDM4EMEN1
SCHEMBL24188767 0.87 KDM4E (0.43) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL30308389 0.87 KDM4E (0.43) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL30308393 0.84 KDM4E (0.41) POLBALDH1A1KDM4EMEN1GAA
SCHEMBL24189203 0.84 KDM4E (0.41) POLBALDH1A1KDM4EMEN1GAA
SCHEMBL13212 0.83 MAPT (0.39) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL12903 0.82 ALDH1A1 (0.39) POLBALDH1A1KDM4EMEN1GAA
SCHEMBL30308402 0.81 LMNA (0.41) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL25883876 0.81 LMNA (0.41) ALDH1A1KDM4EMEN1GAAMAPT
SCHEMBL7554 0.78 ALDH1A1 (0.41) PKMALDH1A1KDM4EMEN1GAA

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
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-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
EP-2499146-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES Merck Serono S.A. (CH) 2012-09-19 EP 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 POLB 1156/4885PKM 727/4885ALDH1A1 3185/4885

“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.