Sugi Predict

Sugi Predict / Compounds / SCHEMBL5887733

SCHEMBL5887733

SCHEMBL5887733

CO[C@@H]1[C@H](O)C(C)(C)C[C@@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)C5CC[C@@]4(C)[C@]3(C)CC[C@]21C

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.67
▸ PTPN1 P18031 8/20 0.62
▸ F3 P13726 4/20 0.62
▸ USP2 O75604 2/20 0.62
▸ LMNA P02545 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ USP7 Q93009 1/20 0.62
▸ SLCO1B3 Q9NPD5 1/20 0.62
▸ SLCO1B1 Q9Y6L6 1/20 0.62
▸ CES2 O00748 1/20 0.56
▸ CES1 P23141 1/20 0.56
▸ EGFR P00533 1/20 0.55
▸ AKR1B10 O60218 1/20 0.55
▸ AKR1B1 P15121 1/20 0.55
▸ TOP2A P11388 1/20 0.54

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
SCHEMBL5887960 0.94 ALOX5 (0.67) ALOX5PTPN1F3USP2LMNA
SCHEMBL5887703 0.93 ALOX5 (0.67) ALOX5PTPN1F3USP2LMNA
Soyasapogenol A SCHEMBL828826 0.89 ALOX5 (0.73) ALOX5PTPN1F3USP2LMNA
Soyasapogenol A SCHEMBL21886589 0.89 ALOX5 (0.73) ALOX5PTPN1F3USP2LMNA
Soyasapogenol A SCHEMBL5887946 0.89 ALOX5 (0.73) ALOX5PTPN1F3USP2LMNA
Soyasapogenol A SCHEMBL24626884 0.89 ALOX5 (0.73) ALOX5PTPN1F3USP2LMNA
Soyasapogenol A SCHEMBL16431091 0.89 ALOX5 (0.73) ALOX5PTPN1F3USP2LMNA
Soyasapogenol A SCHEMBL5887575 0.89 ALOX5 (0.73) ALOX5PTPN1F3USP2LMNA
Soyasapogenol A SCHEMBL6241027 0.89 ALOX5 (0.73) ALOX5PTPN1F3USP2LMNA
Soyasapogenol A SCHEMBL16431093 0.89 ALOX5 (0.73) ALOX5PTPN1F3USP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7153979-B2 Triterpene derivatives and remedies for liver diseases MEIJI SEIKA KAISHA, LTD. (JP) 2006-12-26 — — US disclosed
US-20030195182-A1 Triterpene derivatives and remedies for liver diseases SASAKI KAZUE (JP) 2003-10-16 — — US disclosed
US-6593364-B2 Oxireno-, azetidino-, and methano- picene derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2003-07-15 — — US disclosed
US-20020016481-A1 Triterpene derivatives and remedies for liver diseases SASAKI KAZUE (JP) 2002-02-07 — — US disclosed
US-6201018-B1 EFFECTIVENESS MEIJI SEIKA KAISHA, LTD. (JP) 2001-03-13 — — US disclosed
EP-0889051-A1 TRITERPENE DERIVATIVES AND REMEDIES FOR LIVER DISEASES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1999-01-07 — — EP 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-20020016481-A1 Triterpene derivatives and remedies for liver diseases NR1H3, NR1H2, OXER1 ALOX5 237/4885PTPN1 1660/4885F3 1203/4885
US-20030195182-A1 Triterpene derivatives and remedies for liver diseases NR1H3, NR1H2, OXER1 ALOX5 230/4885PTPN1 1675/4885F3 1180/4885

“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.