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.

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