SCHEMBL20768612

SCHEMBL20768612

CC(C)(C(=O)O)c1ccc(C(N)CO)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
ANPEP P15144 2/20 0.39
LMNA P02545 3/20 0.38
APP P05067 1/20 0.38
HRH1 P35367 2/20 0.38
DRD3 P35462 2/20 0.38
CNR1 P21554 1/20 0.38
APEX1 P27695 1/20 0.38
PDE4A P27815 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2B P41595 1/20 0.38
BLM P54132 1/20 0.38
KCNH2 Q12809 1/20 0.38
PDE3A Q14432 1/20 0.38
DRD2 P14416 1/20 0.37

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
SCHEMBL20768611 1.00 MAP4K4 (0.41) MAP4K4CYP2D6CYP2C9HIF1AMAPT
SCHEMBL20768591 0.82 LMNA (0.38) CYP2D6CYP2C9HIF1AKMT2AANPEP
SCHEMBL20768647 0.80 MEN1 (0.38) CYP2D6CYP2C9HIF1AKMT2AANPEP
SCHEMBL20768580 0.80 RORC (0.42) HTR2A
SCHEMBL20768581 0.80 RORC (0.42) HTR2A
SCHEMBL7761117 0.80 SCN10A (0.46) ANPEPLMNAKIF11SCN10AERAP2
SCHEMBL17085961 0.80 SCN10A (0.46) ANPEPLMNAKIF11SCN10AERAP2
SCHEMBL3497043 0.77 MAPT (0.52) MAP4K4CYP2D6CYP2C9HIF1AMAPT
SCHEMBL20768616 0.76 CYP2D6 (0.38) CYP2D6CYP2C9HIF1AKMT2AANPEP
SCHEMBL10169451 0.76 CYP2C9 (0.66) MAP4K4CYP2D6CYP2C9HIF1AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348386-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. 2023-11-02 US disclosed
EP-3426244-B1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS INC (US) 2023-06-07 EP disclosed
US-11535593-B2 3-phosphoglycerate dehydrogenase inhibitors and uses thereof RAZE THERAPEUTICS, INC. (US) 2022-12-27 US disclosed
US-20220017464-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. 2022-01-20 US disclosed
US-11014882-B2 3-phosphoglycerate dehydrogenase inhibitors and uses thereof RAZE THERAPEUTICS, INC. (US) 2021-05-25 US disclosed
US-20190071400-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. 2019-03-07 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 (5 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-20230348386-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF PHGDH, G6PD, PGD MAP4K4 2033/4885CYP2D6 1356/4885CYP2C9 1790/4885
US-11535593-B2 3-phosphoglycerate dehydrogenase inhibitors and uses thereof PHGDH, G6PD, PGD MAP4K4 2033/4885CYP2D6 1356/4885CYP2C9 1790/4885
US-11014882-B2 3-phosphoglycerate dehydrogenase inhibitors and uses thereof PHGDH, G6PD, PGD MAP4K4 2033/4885CYP2D6 1356/4885CYP2C9 1790/4885
US-20190071400-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF PHGDH, G6PD, PGD MAP4K4 2033/4885CYP2D6 1356/4885CYP2C9 1790/4885
US-20220017464-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF PHGDH, G6PD, PGD MAP4K4 2033/4885CYP2D6 1356/4885CYP2C9 1790/4885

“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.