SCHEMBL5060062

SCHEMBL5060062

CC(C)(C)C(C(C(=O)O)c1ccccc1)P(=O)(O)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.45
KCNN4 O15554 4/20 0.45
CYP2D6 P10635 1/20 0.39
GRM8 O00222 1/20 0.39
GRM4 Q14833 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
EPHX2 P34913 1/20 0.36
CFTR P13569 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GOPC Q9HD26 1/20 0.36
FDPS P14324 1/20 0.35

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
SCHEMBL5052875 0.76 CYP2D6 (0.40) CYP2D6SMN1; SMN2CYP2C9CYP2C19SLC6A2
SCHEMBL8461518 0.72 KCNA5 (0.47) KCNA5KCNN4CYP2D6GRM8GRM4
SCHEMBL5058019 0.69 KCNA5 (0.43) KCNA5KCNN4CYP2D6GRM8GRM4
SCHEMBL8460054 0.69 GRM8 (0.48) KCNA5KCNN4CYP2D6GRM8GRM4
SCHEMBL5053002 0.69 ALDH1A1 (0.43) CYP2D6SMN1; SMN2CYP2C9FDPS
SCHEMBL12698775 0.69 SMN1; SMN2 (0.50) KCNA5CYP2D6SMN1; SMN2CFTRSLC6A2
SCHEMBL7605202 0.69 KCNN4 (0.49) KCNA5KCNN4GRM8GRM4SMN1; SMN2
SCHEMBL7613562 0.69 KCNA5 (0.49) KCNA5KCNN4GRM8GRM4SMN1; SMN2
SCHEMBL7607575 0.69 KCNA5 (0.49) KCNA5KCNN4GRM8GRM4SMN1; SMN2
SCHEMBL5053073 0.68 CYP2D6 (0.42) CYP2D6SMN1; SMN2CYP2C9CYP2C19

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-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 KCNA5 2769/4885KCNN4 4484/4885CYP2D6 2882/4885

“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.