SCHEMBL20072636

SCHEMBL20072636

FC(F)(F)c1cccc(N2CCN(C(=S)N/C(=N/c3cc(N4CCN(C(=S)Nc5cc[nH]n5)CC4)cc(C(F)(F)F)c3)c3ccccn3)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 19/20 0.58
KMT2A Q03164 2/20 0.50
RAB9A P51151 1/20 0.50
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
XBP1 P17861 1/20 0.46

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
SCHEMBL24199427 1.00 PHGDH (0.58) PHGDHKMT2ARAB9ACACNA1BAPBA1
SCHEMBL20063240 0.82 PHGDH (0.70) PHGDHKMT2ARAB9ACACNA1BAPBA1
SCHEMBL20063114 0.75 PHGDH (1.00) PHGDHKMT2ARAB9ACACNA1BAPBA1
SCHEMBL20063241 0.75 PHGDH (0.69) PHGDHKMT2ARAB9ACACNA1BAPBA1
SCHEMBL20072570 0.71 PHGDH (1.00) PHGDHKMT2ARAB9ACACNA1BAPBA1
SCHEMBL20063237 0.69 PHGDH (0.66) PHGDHKMT2ARAB9ACACNA1BAPBA1
SCHEMBL20063222 0.69 PHGDH (0.78) PHGDHKMT2ARAB9ACACNA1BAPBA1
SCHEMBL20063264 0.68 PHGDH (0.58) PHGDHKMT2ARAB9ACACNA1BAPBA1
SCHEMBL20063203 0.68 PHGDH (1.00) PHGDHKMT2ARAB9ACACNA1BAPBA1
SCHEMBL20063093 0.68 PHGDH (1.00) PHGDHKMT2ARAB9ACACNA1BAPBA1

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 1/4885KMT2A 3904/4885RAB9A 2026/4885

“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.