SCHEMBL2734071

SCHEMBL2734071

CCCCCC(N)C(=O)NC(CCCCC)C(=O)NC(CCCCC)C(=O)NC(CCCCC)C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 3/20 0.49
▸ LNPEP Q9UIQ6 2/20 0.49
▸ ERAP1 Q9NZ08 2/20 0.48
▸ DPP7 Q9UHL4 6/20 0.48
▸ DPP8 Q6V1X1 4/20 0.48
▸ DPP9 Q86TI2 4/20 0.48
▸ DPP4 P27487 3/20 0.48
▸ BIRC2 Q13490 2/20 0.46
▸ GNAI3 P08754 1/20 0.46
▸ GNAO1 P09471 1/20 0.46
▸ GNAI1 P63096 1/20 0.46
▸ ZDHHC7 Q9NXF8 1/20 0.45
▸ NPY4R P50391 2/20 0.44
▸ NPY1R P25929 1/20 0.44
▸ SLC15A1 P46059 1/20 0.44
▸ NOD1 Q9Y239 3/20 0.43
▸ SIRT6 Q8N6T7 1/20 0.42
▸ SIRT1 Q96EB6 1/20 0.42

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
Hydrochloric Acid SCHEMBL9826997 0.94 ERAP2 (0.49) ERAP2LNPEPERAP1DPP7DPP8
Hydrochloric Acid SCHEMBL9827159 0.94 ERAP2 (0.49) ERAP2LNPEPERAP1DPP7DPP8
SCHEMBL8811612 0.92 DPP7 (0.55) ERAP2LNPEPERAP1DPP7DPP8
SCHEMBL8811607 0.92 DPP7 (0.55) ERAP2LNPEPERAP1DPP7DPP8
SCHEMBL2734207 0.88 ERAP2 (0.52) ERAP2LNPEPERAP1DPP7DPP8
SCHEMBL27182927 0.85 BIRC2 (0.47) ERAP2LNPEPERAP1BIRC2ZDHHC7
SCHEMBL13496274 0.84 ERAP2 (0.54) ERAP2LNPEPERAP1DPP7DPP8
SCHEMBL5529776 0.84 NOD1 (0.56) DPP7DPP8DPP9DPP4GNAI3
SCHEMBL15723448 0.84 BIRC2 (0.51) ERAP2LNPEPERAP1DPP7DPP8
SCHEMBL12992681 0.84 DPP7 (0.50) DPP7DPP8DPP9DPP4GNAI3

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-8088757-B2 Betulinol derivatives as anti-cancer agents BIORINGS LLC (US) 2012-01-03 — — US disclosed
US-20090176753-A1 Betulinol derivatives as anti-cancer agents SAXENA RESEARCH, LLC 2009-07-09 — — US disclosed
US-20080286291-A1 Betulinol Derivatives as Anti-Hiv Agents SAXENA RESEARCH, LLC 2008-11-20 — — 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 (2 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-20090176753-A1 Betulinol derivatives as anti-cancer agents BET1, BRDT, BRCA1 ERAP2 4039/4885LNPEP 3532/4885ERAP1 3295/4885
US-20080286291-A1 Betulinol Derivatives as Anti-Hiv Agents BET1, NFATC1, CD4 ERAP2 3294/4885LNPEP 1497/4885ERAP1 1901/4885

“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.

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