SCHEMBL5051204

SCHEMBL5051204

CCC(=O)OCC(c1ccc2ccccc2c1)C(F)P(=O)(O)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 0.40
SLC6A4 P31645 16/20 0.40
SLC6A3 Q01959 16/20 0.40
KCNH2 Q12809 12/20 0.40
CYP2D6 P10635 9/20 0.40
GLA P06280 1/20 0.38
CYP3A4 P08684 4/20 0.37
UTS2R Q9UKP6 2/20 0.37
PIN1 Q13526 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
SCHEMBL5051257 0.87 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL5054492 0.82 CETP (0.41) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL5051203 0.82 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL5060618 0.77 POLB (0.38) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL5051206 0.73 AKR1C3 (0.39) UTS2R
SCHEMBL6037812 0.72 RAB9A (0.34) CYP2D6PIN1
SCHEMBL7609850 0.70 AKR1C3 (0.40) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL5057926 0.70 UGT2B7 (0.43) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL7645266 0.69 PIN1 (0.42) SLC6A2SLC6A4SLC6A3KCNH2CYP2D6
SCHEMBL7616169 0.69 CYP1A2 (0.43) SLC6A2SLC6A4SLC6A3KCNH2UTS2R

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 3 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
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 SLC6A2 1722/4885SLC6A4 2083/4885SLC6A3 1060/4885

“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.