SCHEMBL20063150

SCHEMBL20063150

COc1ccnc(NC(=S)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 14/20 1.00
MAPT P10636 4/20 0.63
GAA P10253 1/20 0.61
MAPK1 P28482 1/20 0.61
LMNA P02545 1/20 0.60
PKM P14618 1/20 0.60
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL30474650 1.00 PHGDH (1.00) PHGDHMAPTGAAMAPK1LMNA
SCHEMBL20072496 0.89 PHGDH (0.80) PHGDHMAPTGAAMAPK1LMNA
SCHEMBL20063158 0.88 PHGDH (1.00) PHGDHMAPTGAAMAPK1LMNA
SCHEMBL20063161 0.88 PHGDH (1.00) PHGDHMAPTGAAMAPK1LMNA
SCHEMBL17792823 0.84 PHGDH (0.73) PHGDHMAPTGAAMAPK1LMNA
SCHEMBL20063167 0.83 PHGDH (0.70) PHGDHMAPTGAAMAPK1LMNA
SCHEMBL20063163 0.82 PHGDH (0.76) PHGDHKMT2A
SCHEMBL20063111 0.80 PHGDH (0.79) PHGDHLMNAMEN1KMT2A
SCHEMBL20063132 0.78 PHGDH (1.00) PHGDHMAPTGAAMAPK1
SCHEMBL20063162 0.77 PHGDH (1.00) PHGDHALDH1A1

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 1/4885MAPT 154/4885GAA 388/4885
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF PHGDH, PGD, PGK1 PHGDH 1/4885MAPT 182/4885GAA 399/4885

“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.