SCHEMBL7554

SCHEMBL7554

CCOC(=O)C(=O)C1CSc2ccccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 6/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GLA P06280 1/20 0.39
USP2 O75604 2/20 0.37
BCHE P06276 1/20 0.37
PABPC1 P11940 1/20 0.37
APOBEC3A P31941 1/20 0.37
EIF4H Q15056 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
CRHBP P24387 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
SCHEMBL30460538 1.00 ALDH1A1 (0.41) ALDH1A1NPSR1MAPTL3MBTL1IDO1
SCHEMBL10382671 0.86 ALDH1A1 (0.50) ALDH1A1NPSR1MAPTL3MBTL1KMT2A
SCHEMBL30308393 0.86 KDM4E (0.41) ALDH1A1NPSR1MAPTL3MBTL1KMT2A
SCHEMBL24189203 0.86 KDM4E (0.41) ALDH1A1NPSR1MAPTL3MBTL1KMT2A
SCHEMBL12903 0.84 ALDH1A1 (0.39) ALDH1A1NPSR1MAPTL3MBTL1KMT2A
SCHEMBL4728124 0.83 KDM4E (0.45) ALDH1A1NPSR1MAPTL3MBTL1KMT2A
SCHEMBL25883876 0.83 LMNA (0.41) ALDH1A1NPSR1MAPTL3MBTL1KMT2A
SCHEMBL30308402 0.83 LMNA (0.41) ALDH1A1NPSR1MAPTL3MBTL1KMT2A
SCHEMBL13214 0.83 KDM4E (0.44) ALDH1A1NPSR1MAPTKMT2AMEN1
SCHEMBL13212 0.83 MAPT (0.39) ALDH1A1NPSR1MAPTKMT2AMEN1

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 15 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
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
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
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
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO disclosed
EP-1025105-A1 CONDENSED BENZOTHIOPYRANIC COMPOUNDS PHARMACIA & UPJOHN S.p.A. (IT) 2000-08-09 EP disclosed
WO-1999016771-A1 CONDENSED BENZOTHIOPYRANIC COMPOUNDS PHARMACIA & UPJOHN S.P.A. (IT) 1999-04-08 WO disclosed
EP-0274443-B1 HETEROARYL 3-OXO-PROPANENITRILE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.r.l. (IT) 1991-05-29 EP disclosed
EP-0274443-A1 Heteroaryl 3-oxo-propanenitrile derivatives and process for their preparation FARMITALIA CARLO ERBA S.r.l. (IT) 1988-07-13 EP 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 ALDH1A1 3185/4885NPSR1 4026/4885MAPT 965/4885

“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.