SCHEMBL13293242

SCHEMBL13293242

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nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.47
▸ CES1 P23141 2/20 0.47
▸ F3 P13726 2/20 0.47
▸ SLC10A1 Q14973 1/20 0.45
▸ PTPN1 P18031 4/20 0.43
▸ TOP2A P11388 2/20 0.43
▸ USP2 O75604 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ HIF1A Q16665 2/20 0.43
▸ NT5E P21589 2/20 0.43
▸ RELA Q04206 1/20 0.43
▸ RORC P51449 2/20 0.40
▸ PTGES O14684 1/20 0.39
▸ ALB P02768 2/20 0.37
▸ AKR1B10 O60218 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GLI1 P08151 1/20 0.37
▸ AKR1B1 P15121 1/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ GPBAR1 Q8TDU6 1/20 0.37

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
SCHEMBL13293138 0.92 CES2 (0.56) CES2CES1F3SLC10A1PTPN1
SCHEMBL13293267 0.85 USP2 (0.60) CES2CES1F3SLC10A1PTPN1
SCHEMBL13293260 0.82 CES2 (0.70) CES2CES1F3PTPN1USP2
SCHEMBL13293243 0.79 EGLN2 (0.46) CES2CES1F3SLC10A1PTPN1
SCHEMBL13293272 0.79 USP2 (0.61) CES2CES1F3SLC10A1PTPN1
SCHEMBL13910849 0.76 PTPN1 (0.66) CES2CES1F3SLC10A1PTPN1
SCHEMBL13293192 0.76 TOP2A (0.72) CES2CES1F3SLC10A1PTPN1
SCHEMBL13303949 0.76 TOP2A (0.72) CES2CES1F3SLC10A1PTPN1
SCHEMBL13293124 0.76 TOP2A (0.65) CES2CES1F3PTPN1TOP2A
SCHEMBL12134029 0.75 PTPN1 (0.70) CES2CES1F3SLC10A1PTPN1

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
WO-2010068668-A1 23-SUBSTITUTED DERIVATIVES OF LUPANE-TYPE PENTACYCLIC TRITERPENOIDS ADVANCED LIFE SCIENCES, INC. (US) 2010-06-17 — — WO disclosed
US-20100144688-A1 23-Substituted Derivatives of Lupane-type Pentacyclic Triterpenoids ADVANCED LIFE SCIENCES, INC. (US) 2010-06-10 — — US disclosed
US-20100144688-A1 23-Substituted Derivatives of Lupane-type Pentacyclic Triterpenoids ADVANCED LIFE SCIENCES, INC. (US) 2010-06-10 — — 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-20100144688-A1 23-Substituted Derivatives of Lupane-type Pentacyclic Triterpenoids BRCA1, PGF, LSS CES2 4490/4885CES1 1204/4885F3 1674/4885

“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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