SCHEMBL5054449

SCHEMBL5054449

CC(C)(C)C(C(Cc1ccsc1)C(=O)O)P(=O)(O)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.39
OPRK1 P41145 5/20 0.39
OPRD1 P41143 4/20 0.39
MME P08473 3/20 0.37
SLC1A3 P43003 3/20 0.36
SLC1A2 P43004 3/20 0.36
SLC1A1 P43005 3/20 0.36
ANPEP P15144 1/20 0.35
ERAP2 Q6P179 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
POLB P06746 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 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
SCHEMBL5054389 0.80 ACE (0.39) SLC1A3SLC1A2SLC1A1
SCHEMBL5053184 0.78 CETP (0.39) OPRM1OPRK1OPRD1MMEANPEP
SCHEMBL5054326 0.75 MMP1 (0.38)
SCHEMBL5059743 0.74 FOLH1 (0.47) MMEANPEPERAP2
SCHEMBL7928566 0.71 MMP1 (0.34) OPRM1OPRK1OPRD1
SCHEMBL5054405 0.71 MAPT (0.36) POLB
SCHEMBL5053234 0.71 CYP2D6 (0.41) OPRM1OPRK1OPRD1SLC1A3SLC1A2
SCHEMBL5051199 0.71 SRR (0.42) OPRM1OPRK1OPRD1MMESLC1A3
SCHEMBL5053156 0.71 MME (0.44) OPRM1OPRK1OPRD1MMECTSS
SCHEMBL5051261 0.70 CYP1A2 (0.40) MME

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 OPRM1 1576/4885OPRK1 2405/4885OPRD1 1926/4885

“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.