SCHEMBL20063199

SCHEMBL20063199

Cc1cncc(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 14/20 1.00
LMNA P02545 3/20 0.71
KMT2A Q03164 2/20 0.71
MEN1 O00255 1/20 0.71
POLB P06746 1/20 0.71
XBP1 P17861 1/20 0.71
CYP2D6 P10635 1/20 0.66
CYP2C19 P33261 1/20 0.66
RAB9A P51151 1/20 0.66
CACNA1B Q00975 1/20 0.66
APBA1 Q02410 1/20 0.66

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
SCHEMBL20063198 0.87 KMT2A (0.84) PHGDHLMNAKMT2AMEN1POLB
SCHEMBL20063200 0.85 PHGDH (1.00) PHGDHLMNAKMT2AMEN1POLB
SCHEMBL20063201 0.84 PHGDH (1.00) PHGDHLMNAKMT2AMEN1POLB
SCHEMBL20072594 0.79 PHGDH (1.00) PHGDHKMT2ARAB9ACACNA1BAPBA1
SCHEMBL20063093 0.79 PHGDH (1.00) PHGDHKMT2ARAB9ACACNA1BAPBA1
SCHEMBL20063222 0.78 PHGDH (0.78) PHGDHLMNAKMT2AMEN1POLB
SCHEMBL20063262 0.76 PHGDH (0.69) PHGDHLMNAKMT2AMEN1POLB
SCHEMBL20063232 0.76 PHGDH (1.00) PHGDHLMNAKMT2AMEN1POLB
SCHEMBL20072570 0.76 PHGDH (1.00) PHGDHLMNAKMT2AMEN1POLB
SCHEMBL20063212 0.76 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 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 3874/4885KMT2A 3959/4885
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF PHGDH, PGD, PGK1 PHGDH 1/4885LMNA 3829/4885KMT2A 3904/4885

“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.