SCHEMBL22907451

SCHEMBL22907451

CC(C)c1c[nH]c2c(=O)[nH]cnc12

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PNP P00491 14/20 0.55
PDPK1 O15530 1/20 0.46
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL20567994 0.79 PNP (0.52) PNP
SCHEMBL9221065 0.76 PNP (0.43) PNP
SCHEMBL15628196 0.76 PDPK1 (0.55) PNPPDPK1ALDH1A1
SCHEMBL13691975 0.74 PNP (0.62) PNP
SCHEMBL18521268 0.74 PDPK1 (0.53) PNPPDPK1ALDH1A1
SCHEMBL4736800 0.73 PNP (0.50) PNPPDPK1ALDH1A1
SCHEMBL2429951 0.72 PNP (0.49) PNPPDPK1ALDH1A1
SCHEMBL1945120 0.71 PNP (1.00) PNP
SCHEMBL1946264 0.71 PNP (1.00) PNP
SCHEMBL1945118 0.71 PNP (1.00) PNP

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-20210015915-A1 STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-01-21 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-20210015915-A1 STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING STING1, CGAS, TBK1 PNP 724/4885PDPK1 1225/4885ALDH1A1 4387/4885

“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.