SCHEMBL5449653

SCHEMBL5449653

C=C(C)[C@@H]1CC[C@]2(COC(=O)CBr)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.71
▸ USP2 O75604 2/20 0.71
▸ LMNA P02545 2/20 0.71
▸ HIF1A Q16665 2/20 0.71
▸ NT5E P21589 2/20 0.71
▸ TOP2A P11388 2/20 0.71
▸ RELA Q04206 1/20 0.71
▸ ALB P02768 2/20 0.65
▸ RORC P51449 2/20 0.65
▸ GPBAR1 Q8TDU6 2/20 0.65
▸ AKR1B10 O60218 1/20 0.65
▸ POLB P06746 1/20 0.65
▸ GLI1 P08151 1/20 0.65
▸ AKR1B1 P15121 1/20 0.65
▸ DPP4 P27487 1/20 0.65
▸ SAE1 Q9UBE0 1/20 0.65
▸ UBA2 Q9UBT2 1/20 0.65
▸ CES2 O00748 1/20 0.62
▸ CES1 P23141 1/20 0.62
▸ CA9 Q16790 4/20 0.61

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
SCHEMBL8585647 0.92 PTPN1 (0.75) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL14374364 0.91 CA9 (0.61) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL17356708 0.91 PTPN1 (0.71) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL26867167 0.91 PTPN1 (0.71) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL214201 0.91 PTPN1 (0.76) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL2733084 0.91 PTPN1 (0.76) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL13098063 0.91 PTPN1 (0.76) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL16994315 0.91 PTPN1 (0.76) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL15120375 0.91 PTPN1 (0.76) PTPN1USP2LMNAHIF1ANT5E
SCHEMBL6112842 0.91 PTPN1 (0.76) PTPN1USP2LMNAHIF1ANT5E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232577-A1 Synthetic pentacyclic triterpenoids and derivatives of betulinic acid and betulin ADVANCED LIFE SCIENCES, INC. (US) 2007-10-04 — — US disclosed
US-20070232577-A1 Synthetic pentacyclic triterpenoids and derivatives of betulinic acid and betulin ADVANCED LIFE SCIENCES, INC. (US) 2007-10-04 — — US disclosed
US-20070232577-A1 Synthetic pentacyclic triterpenoids and derivatives of betulinic acid and betulin ADVANCED LIFE SCIENCES, INC. (US) 2007-10-04 — — US disclosed
WO-2007112043-A2 SYNTHETIC PENTACYCLIC TRITERPENOIDS AND DERIVATIVES OF BETULINIC ACID AND BETULIN ADVANCED LIFE SCIENCES INC. (US) 2007-10-04 — — WO 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-20070232577-A1 Synthetic pentacyclic triterpenoids and derivatives of betulinic acid and betulin BET1, PGGT1B, BRCA1 PTPN1 4086/4885USP2 4593/4885LMNA 4313/4885

“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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