SCHEMBL20072492

SCHEMBL20072492

COc1ccnc(NC(=S)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 17/20 1.00
MAPT P10636 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 1/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL20063159 0.87 PHGDH (1.00) PHGDH
SCHEMBL20072356 0.87 PHGDH (1.00) PHGDHMAPTSMN1; SMN2MEN1HTT
SCHEMBL20072611 0.86 PHGDH (1.00) PHGDHMAPTSMN1; SMN2MEN1HTT
SCHEMBL20063162 0.83 PHGDH (1.00) PHGDHSMN1; SMN2
SCHEMBL20072509 0.81 PHGDH (1.00) PHGDH
SCHEMBL20063163 0.80 PHGDH (0.76) PHGDHKMT2A
SCHEMBL20063111 0.80 PHGDH (0.79) PHGDHMEN1KMT2A
SCHEMBL20063102 0.79 PHGDH (0.72) PHGDHKMT2A
SCHEMBL20072369 0.79 PHGDH (0.69) PHGDHMAPTSMN1; SMN2MEN1HTT
SCHEMBL20063150 0.77 PHGDH (1.00) PHGDHMAPTMEN1KMT2A

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 2 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

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 154/4885SMN1; SMN2 4644/4885
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF PHGDH, PGD, PGK1 PHGDH 1/4885MAPT 182/4885SMN1; SMN2 4643/4885

“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.