SCHEMBL5059754

SCHEMBL5059754

CCCCCC(C(CCCC(=O)O)c1ccsc1)(C(C)(C)C)P(=O)(O)Cc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
CETP P11597 4/20 0.32
CTSK P43235 1/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
FOLH1 Q04609 1/20 0.30
MBOAT4 Q96T53 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
SCHEMBL5059750 0.85 CETP (0.32) CETPMMP1MMP2MMP3
SCHEMBL5059757 0.80 CETP (0.32) CETPMMP1MMP2MMP3
SCHEMBL5054812 0.78 CYSLTR2 (0.39) CYSLTR2CYSLTR1CETPFOLH1
SCHEMBL5059889 0.72 FOLH1 (0.36) MMP1MMP2MMP3FOLH1
SCHEMBL5051255 0.72 HDAC3 (0.38) FOLH1
SCHEMBL6037795 0.68 CETP (0.34) CETPMMP1
SCHEMBL5051174 0.68 CETP (0.38) CETPMMP2MMP3
SCHEMBL5053060 0.67 CETP (0.39) CETP
SCHEMBL5053290 0.67 LPAR1 (0.31)
SCHEMBL5053022 0.67 GGH (0.40) FOLH1

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 1 patent. 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

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 CYSLTR2 1905/4885CYSLTR1 1054/4885CETP 1402/4885

“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.