Sugi Predict

Sugi Predict / Compounds / SCHEMBL5053002

SCHEMBL5053002

SCHEMBL5053002

CC(C)(C)C(C(C(=O)O)c1ccccc1)P(=O)(O)Cc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ FDPS P14324 2/20 0.42
▸ PTPRA P18433 1/20 0.42
▸ CYP1A2 P05177 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ CYP2D6 P10635 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP3A4 P08684 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ GRIN2D O15399 1/20 0.37
▸ GRIN3B O60391 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2A Q12879 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ GRIN2C Q14957 1/20 0.37
▸ GRIN3A Q8TCU5 1/20 0.37
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL7926672 0.78 ALDH1A1 (0.40) ALDH1A1FDPSPTPRACYP1A2KDM4E
SCHEMBL5053073 0.74 CYP2D6 (0.42) ALDH1A1CYP1A2CYP2D6SMN1; SMN2MAPT
SCHEMBL5053224 0.70 ALDH1A1 (0.48) ALDH1A1FDPSPTPRACYP1A2KDM4E
SCHEMBL5053077 0.69 ALDH1A1 (0.47) ALDH1A1FDPSPTPRACYP1A2KDM4E
SCHEMBL5054431 0.69 ALDH1A1 (0.47) ALDH1A1FDPSPTPRACYP1A2KDM4E
SCHEMBL5060062 0.69 KCNA5 (0.45) FDPSCYP2D6SMN1; SMN2CYP2C9
SCHEMBL5053234 0.68 CYP2D6 (0.41) ALDH1A1CYP2D6MAPTTSHR
SCHEMBL15925069 0.67 PTPRA (0.61) ALDH1A1FDPSPTPRACYP1A2KDM4E
Pyridin-2-Ylmethylphosphonic Acid SCHEMBL1585351 0.67 FDPS (0.65) ALDH1A1FDPSSMN1; SMN2
Pyridin-2-Ylmethylphosphonic Acid SCHEMBL31467550 0.67 FDPS (0.65) ALDH1A1FDPSSMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994707-A4 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARM INC (US) 2001-11-14 — — EP claimed
EP-0994707-A1 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 2000-04-26 — — EP claimed
WO-1998053812-A1 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 1998-12-03 — — WO claimed
US-20080311037-A1 Compounds which bind PSMA and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-12-18 — — US disclosed
WO-2006093991-A1 COMPOUNDS WHICH BIND PSMA AND USES THEREOF THE CLEVELAND CLINIC FOUNDATION (US) 2006-09-08 — — WO disclosed
US-6025345-A NOVEL PHOSPHONATE DERIVATIVES, HYDROXYPHOSPHINYL DERIVATIVES, AND PHOSPHORAMIDATE DERIVATIVES THAT INHIBIT N-ACETYLATED .ALPHA.-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME ACTIVITY, GUILFORD PHARMACEUTICALS INC. (US) 2000-02-15 — — 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 (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-20080311037-A1 Compounds which bind PSMA and uses thereof FOLH1, PSMA1, BPHL ALDH1A1 257/4885FDPS 3410/4885PTPRA 1579/4885

“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.