Sugi Predict

Sugi Predict / Compounds / SCHEMBL1356271

SCHEMBL1356271

SCHEMBL1356271

COc1cccc(C(C)(C)C(=O)O)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.52
▸ AKR1C2 P52895 1/20 0.52
▸ CES2 O00748 1/20 0.50
▸ CES1 P23141 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ NPC1 O15118 5/20 0.47
▸ RAB9A P51151 5/20 0.47
▸ PARP1 P09874 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ STAT1 P42224 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ CYP4F2 P78329 1/20 0.45
▸ CYP4A11 Q02928 1/20 0.45
▸ EDNRB P24530 1/20 0.45
▸ EDNRA P25101 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ KIF11 P52732 1/20 0.44
▸ NLRP3 Q96P20 1/20 0.44

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
SCHEMBL6671614 0.86 CES2 (0.47) CES2CES1LMNANPC1RAB9A
SCHEMBL1546686 0.86 CES2 (0.50) CES2CES1LMNANPC1RAB9A
SCHEMBL3936634 0.84 AKR1C3 (0.51) AKR1C3LMNANPC1RAB9AMAPT
SCHEMBL6288739 0.84 CES2 (0.49) CES2CES1LMNANPC1RAB9A
SCHEMBL18231508 0.84 MAPT (0.56) CES2CES1LMNANPC1RAB9A
SCHEMBL3507981 0.84 NPC1 (0.49) CES2CES1LMNANPC1RAB9A
SCHEMBL1368545 0.84 CES2 (0.49) CES2CES1LMNANPC1RAB9A
SCHEMBL2569034 0.83 CYP4F2 (0.44) AKR1C3AKR1C2NPC1RAB9AMAPT
SCHEMBL15430216 0.83 PKM (0.58) CES2CES1LMNANPC1RAB9A
SCHEMBL2797715 0.82 CES2 (0.50) CES2CES1LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025074305-A1 N-(1-(AMINOMETHYL)CYCLOPROPYL)(ARYL OR HETEROARYL) CARBOXAMIDE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-04-10 — — WO disclosed
CN-117230124-A Preparation method of tapentadol chiral intermediate 天津法莫西生物医药科技有限公司 2023-12-15 — — CN disclosed
US-11701373-B2 Substituted bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-07-18 — — US disclosed
US-20220331346-A1 SUBSTITUTED BICYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2022-10-20 — — US disclosed
EP-2367800-B9 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER IPHARMA H K LTD (HK) 2021-10-20 — — EP disclosed
EP-2367800-B9 SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF DISEASES SUCH AS CANCER IPHARMA H K LTD (HK) 2021-10-20 — — EP disclosed
US-11058696-B2 Substituted bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-13 — — US disclosed
US-20200281952-A1 SUBSTITUTED BICYCLIC COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-09-10 — — US disclosed
US-10709719-B2 Substituted bicyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-14 — — US disclosed
CN-107148409-B Substituted bicyclic compounds 百时美施贵宝公司 2020-07-10 — — CN disclosed
EP-1581476-A2 ADAMANTYL ACETAMIDES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-10-05 — — EP disclosed
EP-1567488-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2005-08-31 — — EP disclosed
WO-2004094430-A1 TRICYCLIC INDOLE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER’S DISEASE GLAXO GROUP LIMITED (GB) 2004-11-04 — — WO disclosed
WO-2004080376-A2 HYDROXYETHYLAMINE COMPOUNDS HAVING ASP2 INHIBITORY ACTIVITY FOR THE TREATMENT OF ALZHEIMER’S DISEASE GLAXO GROUP LIMITED (GB) 2004-09-23 — — WO disclosed
WO-2004056745-A2 ADAMANTYL ACETAMIDES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2004-07-08 — — WO disclosed
WO-2004050619-A1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LIMITED (GB) 2004-06-17 — — WO disclosed
US-5962469-A PREVENTION OF OXIDATION TISSUE DAMAGE BY FREE RADICALS HOECHST MARION ROUSSEL INC. (US) 1999-10-05 — — US disclosed
EP-0863878-A1 CYCLIC NITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST MARION ROUSSEL, INC. (US) 1998-09-16 — — EP disclosed
WO-1998007716-A2 HETEROAROTINOIDS-ANTICANCER AGENTS WITH RECEPTOR SPECIFICITY AND TGASE ACTIVITY THE BOARD OF REGENTS FOR OKLAHOMA STATE UNIVERSITY (US) 1998-02-26 — — WO disclosed
WO-1997010218-A1 CYCLIC NITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST MARION ROUSSEL, INC. (US) 1997-03-20 — — 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 (5 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-20200281952-A1 SUBSTITUTED BICYCLIC COMPOUNDS S1PR1, S1PR3, S1PR2 AKR1C3 250/4885AKR1C2 818/4885CES2 3622/4885
US-20220331346-A1 SUBSTITUTED BICYCLIC COMPOUNDS S1PR1, S1PR3, S1PR2 AKR1C3 250/4885AKR1C2 818/4885CES2 3622/4885
US-11701373-B2 Substituted bicyclic compounds S1PR1, S1PR3, S1PR2 AKR1C3 250/4885AKR1C2 818/4885CES2 3622/4885
US-11058696-B2 Substituted bicyclic compounds S1PR1, S1PR3, S1PR2 AKR1C3 250/4885AKR1C2 818/4885CES2 3622/4885
US-10709719-B2 Substituted bicyclic compounds S1PR1, S1PR3, S1PR2 AKR1C3 250/4885AKR1C2 818/4885CES2 3622/4885

“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.