SCHEMBL4889838

SCHEMBL4889838

CS(=O)(=O)c1ccc(CN2CCC(NC(=O)c3csc(NC(=O)c4ccc(F)c(Cl)c4)n3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 7/20 0.52
PRKAA2 P54646 7/20 0.48
PRKAB2 O43741 3/20 0.48
PRKAG1 P54619 3/20 0.48
PRKAA1 Q13131 3/20 0.48
PRKAG3 Q9UGI9 3/20 0.48
PRKAG2 Q9UGJ0 3/20 0.48
PRKAB1 Q9Y478 3/20 0.48
SSTR5 P35346 1/20 0.46
KCNH2 Q12809 1/20 0.46
MCHR1 Q99705 2/20 0.46
DRD4 P21917 1/20 0.45
ACKR3 P25106 1/20 0.45
SMYD3 Q9H7B4 1/20 0.43

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
SCHEMBL4881110 0.89 MAPKAPK2 (0.62) MAPKAPK2PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL4891195 0.85 DRD4 (0.57) MAPKAPK2PRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL4889851 0.84 MAPKAPK2 (0.49) MAPKAPK2PRKAA2ACKR3
SCHEMBL4880172 0.84 MAPKAPK2 (0.49) MAPKAPK2ACKR3
Hydrochloric Acid SCHEMBL4887420 0.83 MAPKAPK2 (0.56) MAPKAPK2MCHR1DRD4
SCHEMBL4885713 0.83 MAPKAPK2 (0.51) MAPKAPK2PRKAA2MCHR1DRD4ACKR3
SCHEMBL4886641 0.83 MAPKAPK2 (0.52) MAPKAPK2PRKAA2MCHR1DRD4ACKR3
SCHEMBL4883872 0.82 MAPKAPK2 (0.49) MAPKAPK2PRKAA2MCHR1DRD4ACKR3
SCHEMBL4887575 0.82 MAPKAPK2 (0.51) MAPKAPK2PRKAA2MCHR1DRD4ACKR3
SCHEMBL4886680 0.82 MAPKAPK2 (0.48) MAPKAPK2MCHR1DRD4ACKR3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039499-A1 Chemical Compounds BOWER JUSTIN F 2008-02-14 US claimed

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-20080039499-A1 Chemical Compounds CCR1, CCL11, CXCR1 MAPKAPK2 2482/4885PRKAA2 3998/4885PRKAB2 3496/4885

“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.