SCHEMBL23364283

SCHEMBL23364283

COc1nnc(Cl)cc1CP(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 3/20 0.41
PGK2 P07205 3/20 0.41
GRIN2D O15399 2/20 0.34
GRIN3B O60391 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
GRIN2B Q13224 2/20 0.34
GRIN2C Q14957 2/20 0.34
GRIN3A Q8TCU5 2/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP12 P39900 2/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ACP3 P15309 1/20 0.30

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
SCHEMBL23363937 0.80 MAPT (0.36) ALDH1A1L3MBTL1
SCHEMBL17773615 0.79 ALDH1A1 (0.34) ALDH1A1LMNARAB9AL3MBTL1
SCHEMBL23363997 0.73 PGK1 (0.40) PGK1PGK2GRIN2DGRIN3BGRIN1
SCHEMBL28652447 0.72 ALDH1A1 (0.32) ALDH1A1RAB9AL3MBTL1
SCHEMBL29794494 0.71 CCNT1 (0.35)
SCHEMBL28652446 0.71 PDCD1LG2 (0.30)
SCHEMBL23363806 0.70 PGK1 (0.40) PGK1PGK2GRIN2DGRIN3BGRIN1
SCHEMBL25227000 0.68 HTR2A (0.35)
SCHEMBL3045991 0.67 PGK1 (0.52) PGK1PGK2MMP2MMP9MMP12
SCHEMBL29206809 0.67 ALDH1A1 (0.39) ALDH1A1LMNARAB9AL3MBTL1SMN1; SMN2

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
EP-4058435-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2022-09-21 EP disclosed
EP-3847154-A1 CARBOXAMIDE AND SULFONAMIDE DERIVATIVES USEFUL AS TEAD MODULATORS F. Hoffmann-La Roche AG (CH) 2021-07-14 EP disclosed
US-20210188775-A1 CARBOXAMIDE AND SULFONAMIDE DERIVATIVES USEFUL AS TEAD MODULATORS GENENTECH, INC. (US) 2021-06-24 US disclosed
WO-2021097110-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2021-05-20 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 (1 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-20210188775-A1 CARBOXAMIDE AND SULFONAMIDE DERIVATIVES USEFUL AS TEAD MODULATORS TEAD2, TEAD1, SULT2A1 PGK1 2286/4885PGK2 1963/4885GRIN2D 970/4885

“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.