Sugi Predict

Sugi Predict / Compounds / SCHEMBL20115495

SCHEMBL20115495

SCHEMBL20115495

COC(=O)c1ccc(-c2ccc(/C=N/NC(=S)NN)o2)cc1N

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHGDH O43175 7/20 0.72
▸ CTSL P07711 1/20 0.53
▸ KDM4E B2RXH2 5/20 0.51
▸ MAPT P10636 5/20 0.51
▸ PKM P14618 3/20 0.51
▸ HPGD P15428 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ HSP90AA1 P07900 1/20 0.51
▸ APEX1 P27695 1/20 0.51
▸ ATM Q13315 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ CTDSP1 Q9GZU7 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
SCHEMBL21292767 0.88 PHGDH (0.70) PHGDHCTSLKDM4EMAPTPKM
SCHEMBL20115436 0.84 PHGDH (1.00) PHGDHKDM4EMAPTPKMNPC1
SCHEMBL4453904 0.79 HPGD (0.71) PHGDHCTSLKDM4EMAPTPKM
SCHEMBL4453898 0.79 HPGD (0.71) PHGDHCTSLKDM4EMAPTPKM
SCHEMBL28373786 0.77 CTSL (0.61) PHGDHCTSLKDM4EMAPTPKM
SCHEMBL20115435 0.76 PHGDH (0.80) PHGDHKDM4EMAPTPKMHPGD
SCHEMBL20115433 0.76 PHGDH (0.80) PHGDHKDM4EMAPTPKMHPGD
SCHEMBL20115432 0.75 PHGDH (1.00) PHGDHCTSLKDM4EMAPTPKM
SCHEMBL21292822 0.75 PHGDH (1.00) PHGDHCTSLKDM4EMAPTPKM
SCHEMBL20115496 0.75 PHGDH (0.72) PHGDHKDM4EMAPTPKMHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10722489-B2 D-3-phosphoglycerate dehydrogenase allosteric inhibitor and use thereof PEKING UNIVERSITY (CN) 2020-07-28 — — US disclosed
US-20200054593-A1 D-3-PHOSPHOGLYCERATE DEHYDROGENASE ALLOSTERIC INHIBITOR AND USE THEREOF UNIV BEIJING (CN) 2020-02-20 — — US disclosed
US-20190262303-A1 D-3-PHOSPHOGLYCERATE DEHYDROGENASE ALLOSTERIC INHIBITOR AND USE THEREOF UNIV BEIJING (CN) 2019-08-29 — — US disclosed
WO-2018076537-A1 D-3-PHOSPHOGLYCERATE DEHYDROGENASE ALLOSTERIC INHIBITOR AND USE THEREOF 北京大学 2018-05-03 — — WO 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 (3 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-10722489-B2 D-3-phosphoglycerate dehydrogenase allosteric inhibitor and use thereof MDH2, MDH1, DLD PHGDH 4/4885CTSL 2861/4885KDM4E 1863/4885
US-20200054593-A1 D-3-PHOSPHOGLYCERATE DEHYDROGENASE ALLOSTERIC INHIBITOR AND USE THEREOF MDH2, MDH1, DLD PHGDH 4/4885CTSL 2861/4885KDM4E 1863/4885
US-20190262303-A1 D-3-PHOSPHOGLYCERATE DEHYDROGENASE ALLOSTERIC INHIBITOR AND USE THEREOF MDH2, MDH1, DLD PHGDH 4/4885CTSL 2861/4885KDM4E 1863/4885

“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.