Sugi Predict

Sugi Predict / Compounds / SCHEMBL974587

SCHEMBL974587

SCHEMBL974587

CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 6/20 0.73
▸ PTPN2 P17706 4/20 0.73
▸ USP2 O75604 1/20 0.69
▸ CES1 P23141 5/20 0.67
▸ CES2 O00748 3/20 0.67
▸ ALOX5 P09917 4/20 0.64
▸ ALOX15 P16050 1/20 0.62
▸ MEN1 O00255 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ AKR1B10 O60218 3/20 0.53
▸ AKR1B1 P15121 1/20 0.53
▸ POLB P06746 3/20 0.52
▸ PSMB11 A5LHX3 2/20 0.52
▸ PSMA7 O14818 2/20 0.52
▸ PLA2G1B P04054 2/20 0.52
▸ PTPRC P08575 2/20 0.52
▸ PTPRF P10586 2/20 0.52
▸ F3 P13726 2/20 0.52
▸ PSMB1 P20618 2/20 0.52
▸ ACP1 P24666 2/20 0.52

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
SCHEMBL6913431 1.00 PTPN1 (0.73) PTPN1PTPN2USP2CES1CES2
SCHEMBL974588 1.00 PTPN1 (0.73) PTPN1PTPN2USP2CES1CES2
SCHEMBL31593848 1.00 PTPN1 (0.73) PTPN1PTPN2USP2CES1CES2
SCHEMBL29624157 0.87 PTPN1 (0.62) PTPN1PTPN2USP2CES1CES2
SCHEMBL1649013 0.86 CES2 (0.74) PTPN1PTPN2USP2CES1CES2
SCHEMBL1649012 0.86 CES2 (0.74) PTPN1PTPN2USP2CES1CES2
SCHEMBL1050323 0.86 CES2 (0.74) PTPN1PTPN2USP2CES1CES2
SCHEMBL1721910 0.85 PTPN1 (0.63) PTPN1PTPN2USP2CES1CES2
SCHEMBL178210 0.85 PTPN1 (1.00) PTPN1PTPN2USP2CES1ALOX5
SCHEMBL178211 0.85 PTPN1 (1.00) PTPN1PTPN2USP2CES1ALOX5

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114380884-A Oleanolic acid derivative with anti-tumor activity and preparation method thereof 沈阳化工大学 2022-04-22 — — CN claimed
CN-119192273-A New pentacyclic triterpene B extracted from oleanane type compound extracted from radix bupleuri, and extraction method and application thereof 河南中医药大学 2024-12-27 — — CN disclosed
CN-118324844-A Method for preparing oleanane compound pentacyclic triterpene A from radix bupleuri and application thereof 河南中医药大学 2024-07-12 — — CN disclosed
CN-117886877-A Secoisolariciresine type triterpene compound and application of pharmaceutical composition thereof in treatment of neuroinflammation 中国医学科学院药物研究所 2024-04-16 — — CN disclosed
CN-114573656-B Preparation method and application of polyoxy oleanane type triterpene compound sub-merino triterpene C 河南中医药大学 2024-03-15 — — CN disclosed
CN-111205346-B Oleanolic acid derivative and medical application thereof 中国药科大学 2022-01-28 — — CN disclosed
CN-112370462-A Methods and compositions for treating COPD diseases 上海凯屹医药科技有限公司 2021-02-19 — — CN disclosed
CN-108840899-B Pentacyclic triterpenoid compound and derivative and application thereof 浙江大学 2020-11-10 — — CN disclosed
CN-106456657-B Methods and compositions for treating COPD diseases 上海凯屹医药科技有限公司 2020-10-16 — — CN disclosed
US-10786521-B2 Methods and compositions for treatment of COPD diseases Shanghai KE Pharmaceutical Co., Ltd (CN) 2020-09-29 — — US disclosed
EP-1377320-A2 POLYNUCLEOTIDE BINDING COMPLEXES COMPRISING STEROLS AND SAPONINS Nordic Vaccine Technology A/S (DK) 2004-01-07 — — EP disclosed
WO-2003088907-A2 ISOFLAVONE AND TRITERPENE GLYCOSIDES FROM SOYBEANS THE UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2003-10-30 — — WO disclosed
US-20030203856-A1 Isoflavone and triterpene glycosides from soybeans THE UNIVERSITY OF IOWA RESEARCH FOUNDATION 2003-10-30 — — US disclosed
US-20030118635-A1 Polynucleotide binding complexes comprising sterols and saponins ISCONOVA AB (SE) 2003-06-26 — — US disclosed
WO-2002102407-A1 THERAPEUTICAL VACCINATION NORDIC VACCINE TECHNOLOGY A/S (DK) 2002-12-27 — — WO disclosed
WO-2002080981-A2 POLYNUCLEOTIDE BINDING COMPLEXES COMPRISING STEROLS AND SAPONINS NORDIC VACCINE TECHNOLOGY A/S (DK) 2002-10-17 — — WO disclosed
US-5916919-A TRITERPENES DALHOUSIE UNIVERSITY (CA) 1999-06-29 — — US disclosed
US-5804239-A Method and composition for food flavoring NOUVEAU TECHNOLOGIES, INC. (US) 1998-09-08 — — US disclosed
EP-0515159-B1 Ursane derivatives, their preparation and pharmaceutical formulations thereof IDB HOLDING SPA (IT) 1995-11-29 — — EP disclosed
EP-0515159-A1 Ursane derivatives, their preparation and pharmaceutical formulations thereof IDB HOLDING S.p.A. (IT) 1992-11-25 — — 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 (3 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-20030203856-A1 Isoflavone and triterpene glycosides from soybeans CYP51A1, FNTA, PIN1 PTPN1 1306/4885PTPN2 1151/4885USP2 4119/4885
US-20030118635-A1 Polynucleotide binding complexes comprising sterols and saponins SNRPE, SNRPF, HNRNPAB PTPN1 2673/4885PTPN2 2359/4885USP2 4798/4885
US-10786521-B2 Methods and compositions for treatment of COPD diseases MPO, MMP8, COX6C PTPN1 2856/4885PTPN2 2502/4885USP2 974/4885

“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.