SCHEMBL20063263

SCHEMBL20063263

FC(F)(F)c1cccc(N2CCN(C(=S)Nc3nc(-c4ccccc4)c[nH]3)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 17/20 0.62
LMNA P02545 2/20 0.60
MEN1 O00255 1/20 0.60
POLB P06746 1/20 0.60
XBP1 P17861 1/20 0.60
KMT2A Q03164 1/20 0.60

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
SCHEMBL20072478 0.89 LMNA (0.51) PHGDHLMNAMEN1POLBXBP1
SCHEMBL20063235 0.78 PHGDH (0.85) PHGDHLMNAMEN1POLBXBP1
SCHEMBL20063249 0.77 PHGDH (1.00) PHGDHLMNAMEN1POLBXBP1
SCHEMBL20063114 0.74 PHGDH (1.00) PHGDHLMNAMEN1POLBXBP1
SCHEMBL20063246 0.74 PHGDH (0.81) PHGDHLMNAMEN1POLBXBP1
SCHEMBL20063248 0.74 PHGDH (0.73) PHGDHLMNAMEN1POLBXBP1
SCHEMBL20063203 0.74 PHGDH (1.00) PHGDHLMNAMEN1POLBXBP1
SCHEMBL20063201 0.74 PHGDH (1.00) PHGDHLMNAMEN1POLBXBP1
SCHEMBL20063240 0.74 PHGDH (0.70) PHGDHLMNAMEN1POLBXBP1
SCHEMBL20063239 0.74 PHGDH (1.00) PHGDHLMNAMEN1POLBXBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11225469-B2 Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2022-01-18 US disclosed
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-04-19 US disclosed
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 (2 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-11225469-B2 Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof PHGDH, PGD, PGK1 PHGDH 1/4885LMNA 3874/4885MEN1 3225/4885
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF PHGDH, PGD, PGK1 PHGDH 1/4885LMNA 3829/4885MEN1 2720/4885

“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.