SCHEMBL2772247

SCHEMBL2772247

Cc1csc2c1CCC2=O

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.32
CSNK1A1 P48729 1/20 0.32
LIMK1 P53667 1/20 0.32
MAP2K1 Q02750 1/20 0.32
PRKAA1 Q13131 1/20 0.32
DYRK1A Q13627 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL14502277 0.89 ALDH1A1 (0.36) MAPK8CSNK1A1LIMK1MAP2K1PRKAA1
SCHEMBL4188744 0.72 MAOA (0.44) ALDH1A1
SCHEMBL16161354 0.68 HSD17B10 (0.37) MAPK8CSNK1A1LIMK1MAP2K1PRKAA1
SCHEMBL14502273 0.67 ALDH1A1 (0.39) MAPK8CSNK1A1LIMK1MAP2K1PRKAA1
SCHEMBL31563944 0.67 PTPN1 (0.31)
SCHEMBL2773408 0.66
SCHEMBL9865678 0.65 KDM4E (0.31) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL5355928 0.63 MAPK8 (0.42) MAPK8CSNK1A1LIMK1MAP2K1PRKAA1
SCHEMBL13021599 0.61 HPGD (0.44) KDM4EALDH1A1GAAHPGD
SCHEMBL7762228 0.59 ADRA1D (0.32)

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-2230243-A1 Pharmaceutical compounds Neuroscienze Pharmaness S.C. A R.L. (IT) 2010-09-22 EP disclosed
EP-2230243-A1 Pharmaceutical compounds Neuroscienze Pharmaness S.C. A R.L. (IT) 2010-09-22 EP disclosed
US-20100215759-A1 PHARMACEUTICAL COMPOUNDS NEUROSCIENZE PHARMANESS S.C.A.R.L. (IT) 2010-08-26 US disclosed
US-20100215759-A1 PHARMACEUTICAL COMPOUNDS NEUROSCIENZE PHARMANESS S.C.A.R.L. (IT) 2010-08-26 US disclosed
US-20100215759-A1 PHARMACEUTICAL COMPOUNDS NEUROSCIENZE PHARMANESS S.C.A.R.L. (IT) 2010-08-26 US disclosed
US-7217723-B2 Substituted benzothiophenes, e.g., 7Z)-7-hydroxyimino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-sulfonic acid [2-(4-fluorophenyl)-2-hydroxyethyl]-methyl-amide; treating allergies such as atopic dermatitis, allergic coryza, bronchial asthma, hypersensitive pneumoniac and pulmonary aspergillosis. EISAI CO., LTD. (JP) 2007-05-15 US 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-20100215759-A1 PHARMACEUTICAL COMPOUNDS CNR2, CNR1, OPRK1 MAPK8 2301/4885CSNK1A1 786/4885LIMK1 4703/4885

“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.