SCHEMBL5051206

SCHEMBL5051206

CC(CC(C(=O)O)C(F)P(=O)(O)Cc1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.39
AKR1C2 P52895 6/20 0.39
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
UGT2B7 P16662 1/20 0.37
UTS2R Q9UKP6 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL5051203 0.82 SLC6A2 (0.39) AKR1C3AKR1C2MEN1LMNAKMT2A
SCHEMBL5054496 0.81 CETP (0.40) LMNAPPARGPPARARAB9ASMN1; SMN2
SCHEMBL5060619 0.78 CYP2D6 (0.40) AKR1C3AKR1C2MEN1LMNAKMT2A
SCHEMBL5057926 0.77 UGT2B7 (0.43) AKR1C3AKR1C2MEN1LMNAKMT2A
SCHEMBL7610433 0.77 MMP1 (0.45) MEN1KMT2AUTS2R
SCHEMBL5051318 0.76 MME (0.42) MEN1LMNAKMT2AUGT2B7UTS2R
SCHEMBL5059655 0.76 PPARG (0.44) AKR1C3AKR1C2UGT2B7UTS2RADRA2A
SCHEMBL7609850 0.75 AKR1C3 (0.40) AKR1C3AKR1C2MEN1LMNAKMT2A
SCHEMBL7608842 0.74 MEN1 (0.43) AKR1C3AKR1C2MEN1KMT2AUGT2B7
SCHEMBL5051204 0.73 SLC6A2 (0.40) UTS2R

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 AKR1C3 1611/4885AKR1C2 1566/4885MEN1 1150/4885

“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.