SCHEMBL20063253

SCHEMBL20063253

Cc1ccc(N2CCN(C(=S)Nc3cc(C)cc(C)n3)CC2)nc1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 20/20 0.77

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
SCHEMBL19357205 0.87 PHGDH (0.81) PHGDH
SCHEMBL17927265 0.87 PHGDH (1.00) PHGDH
SCHEMBL20072482 0.85 PHGDH (0.73) PHGDH
SCHEMBL20072488 0.85 PHGDH (1.00) PHGDH
SCHEMBL20072569 0.85 PHGDH (0.69) PHGDH
SCHEMBL20072605 0.83 PHGDH (0.72) PHGDH
Trifluoroacetic Acid SCHEMBL17927253 0.82 PHGDH (0.89) PHGDH
SCHEMBL20072436 0.82 PHGDH (0.66) PHGDH
SCHEMBL20063125 0.81 PHGDH (1.00) PHGDH
SCHEMBL20063180 0.80 PHGDH (1.00) PHGDH

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-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-04-19 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-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF PHGDH, PGD, PGK1 PHGDH 1/4885

“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.