SCHEMBL12192243

SCHEMBL12192243

CN(NC(=O)OC(=O)NN(C)C(N)=S)C(N)=S

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TAS2R38 P59533 1/20 0.31
F2 P00734 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30

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
SCHEMBL2048357 0.76
SCHEMBL711912 0.76 HSP90AA1 (0.38) TAS2R38
SCHEMBL12216285 0.74 HSP90AA1 (0.48) TAS2R38
SCHEMBL1770382 0.72 ALDH1A1 (0.35)
SCHEMBL10336651 0.72
SCHEMBL12192250 0.70 FFAR3 (0.32)
SCHEMBL31118105 0.69 EGLN1 (0.42)
SCHEMBL23716964 0.65 THRB (0.36) F2PRSS1PRSS2PRSS3
SCHEMBL30990370 0.64
SCHEMBL27850847 0.64

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-8497272-B2 Compounds for treating proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-07-30 US disclosed
US-8497272-B2 Compounds for treating proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-07-30 US disclosed
US-20110245262-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2011-10-06 US disclosed
US-20110245262-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2011-10-06 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-20110245262-A1 COMPOUNDS FOR TREATING PROLIFERATIVE DISORDERS HSP90AB1, HSF1, HSP90B1 TAS2R38 4599/4885F2 4407/4885PRSS1 3658/4885

“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.