SCHEMBL5052875

SCHEMBL5052875

CC(C)(C)C(C(C(=O)O)c1ccccc1)P(=O)(O)c1ccsc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.40
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.32
SRC P12931 2/20 0.32
TSHR P16473 3/20 0.32
LMNA P02545 1/20 0.32
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A3 Q01959 1/20 0.30
SLC6A9 P48067 1/20 0.30
SLC6A5 Q9Y345 1/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL5053232 0.80 CYP2D6 (0.38) CYP2D6KMT2AHPGDSRCTSHR
SCHEMBL5060062 0.76 KCNA5 (0.45) CYP2D6SLC6A2SLC6A3CYP2C9CYP2C19
SCHEMBL5054698 0.74 CYP2C19 (0.43) CYP2D6HPGDTSHRSLC6A2SLC6A3
SCHEMBL5053073 0.68 CYP2D6 (0.42) CYP2D6KMT2ATSHRCYP3A4CYP2C9
SCHEMBL5058058 0.68 CYP2D6 (0.36) CYP2D6KMT2AHPGDLMNA
SCHEMBL7607341 0.68 SRC (0.35) CYP2D6HPGDSRCLMNASLC6A2
SCHEMBL7606954 0.68 GGH (0.40) CYP2D6HPGDSRCSLC6A9SLC6A5
SCHEMBL7604998 0.68 POLB (0.40) CYP2D6HPGDSRCSLC6A2SLC6A3
SCHEMBL8461609 0.68 CYP2D6 (0.41) CYP2D6KMT2AHPGDSRCTSHR
SCHEMBL8461492 0.66 CYP2D6 (0.39) CYP2D6KMT2AHPGDSLC6A2SLC6A3

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 9 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
EP-0994707-A4 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARM INC (US) 2001-11-14 EP disclosed
EP-0994707-A1 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 2000-04-26 EP 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
WO-1998053812-A1 INHIBITORS OF NAALADASE ENZYME ACTIVITY GUILFORD PHARMACEUTICALS INC. (US) 1998-12-03 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 (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 CYP2D6 2882/4885KMT2A 1052/4885HPGD 3806/4885

“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.