SCHEMBL20072474

SCHEMBL20072474

C=C(Nc1cc(C(=O)OC)ccn1)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 7/20 0.80
KMT2A Q03164 2/20 0.57
RAB9A P51151 1/20 0.57
CACNA1B Q00975 1/20 0.57
APBA1 Q02410 1/20 0.57
POLB P06746 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 5/20 0.52
HSD17B10 Q99714 3/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 4/20 0.51
USP2 O75604 1/20 0.51
TP53 P04637 1/20 0.51
ALOX15 P16050 1/20 0.51
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.49
ATM Q13315 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL20063110 0.89 PHGDH (1.00) PHGDHKMT2ARAB9ACACNA1BAPBA1
SCHEMBL20072632 0.79 PHGDH (0.60) PHGDHKMT2ARAB9ACACNA1BAPBA1
SCHEMBL20063192 0.77 PHGDH (0.78) PHGDHKMT2ARAB9ACACNA1BAPBA1
SCHEMBL4719711 0.75 KMT2A (0.73) PHGDHKMT2APOLBSMN1; SMN2MEN1
SCHEMBL3493237 0.74 PHGDH (0.58) PHGDHPOLBHSD17B10MAPTALDH1A1
SCHEMBL20063111 0.74 PHGDH (0.79) PHGDHKMT2ARAB9ACACNA1BAPBA1
SCHEMBL20072512 0.74 PHGDH (0.59) PHGDHKMT2ARAB9ACACNA1BAPBA1
SCHEMBL20072570 0.74 PHGDH (1.00) PHGDHKMT2ARAB9ACACNA1BAPBA1
SCHEMBL6258508 0.74 POLB (0.70) RAB9APOLBSMN1; SMN2LMNAHSD17B10
SCHEMBL20063093 0.73 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 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 1/4885KMT2A 3959/4885RAB9A 1994/4885
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.