SCHEMBL448488

SCHEMBL448488

CN(NC(=O)CS(=O)(=O)NN(C)C(=S)C1CC1)C(=S)c1cccc(C(F)(F)F)n1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.38
CCR2 P41597 1/20 0.35
ACKR3 P25106 11/20 0.35
DRD2 P14416 3/20 0.34
DDR1 Q08345 1/20 0.34
DRD3 P35462 1/20 0.34
IRAK4 Q9NWZ3 3/20 0.34
HTR1A P08908 2/20 0.33
DRD4 P21917 2/20 0.33
KCNH2 Q12809 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
SCHEMBL451087 0.81 HSP90AA1 (0.34) P2RX7KCNH2
SCHEMBL448046 0.78 HSP90AA1 (0.56)
SCHEMBL446122 0.73 HSP90AA1 (0.31)
SCHEMBL447775 0.71 ALDH1A1 (0.31)
SCHEMBL447710 0.70 HSP90AA1 (0.51)
SCHEMBL448071 0.69
SCHEMBL450199 0.68
SCHEMBL445764 0.68
SCHEMBL464703 0.67
SCHEMBL448855 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680100-B2 Sulfonylhydrazide compounds for treating proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2014-03-25 US disclosed
US-8680100-B2 Sulfonylhydrazide compounds for treating proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2014-03-25 US disclosed
US-20120065206-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-03-15 US disclosed
US-20120065206-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-03-15 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-20120065206-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS PKD1, PKD2, PCNA P2RX7 4614/4885CCR2 3742/4885ACKR3 1797/4885

“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.