SCHEMBL3689068

SCHEMBL3689068

CCOC(=O)Cn1ccc2cc(O)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.45
▸ ATM Q13315 1/20 0.44
▸ TNF P01375 2/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA7 P43166 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA14 Q9ULX7 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ JAK3 P52333 1/20 0.40

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
SCHEMBL30396580 1.00 F2 (0.45) F2ATMTNFALDH1A1CA12
SCHEMBL3871316 0.89 MCL1 (0.47) F2TNFALDH1A1CA12CA1
SCHEMBL4473320 0.86 TNF (0.53) TNFALDH1A1KDM4EMEN1KMT2A
SCHEMBL5449877 0.85 ATM (0.57) ATMALDH1A1KDM4EKMT2AGAA
SCHEMBL20037218 0.84 TDP1 (0.53) ATMALDH1A1MEN1KMT2AMAPT
SCHEMBL4485443 0.84 NTSR1 (0.52) ATMALDH1A1MEN1KMT2ALMNA
SCHEMBL20037274 0.84 ALDH1A1 (0.50) ATMTNFALDH1A1KDM4EGAA
SCHEMBL29138523 0.84 MTNR1A (0.56) ATMTNFALDH1A1KDM4EMEN1
SCHEMBL4483940 0.84 ATM (0.43) ATMTNFALDH1A1KDM4EMEN1
SCHEMBL1666483 0.84 NTSR1 (0.52) ATMTNFALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357148-A1 INDOLE DERIVATIVE AND APPLICATION THEREOF SHANGHAI MEDICILON INC. (CN) 2023-11-09 — — US disclosed
US-20230357148-A1 INDOLE DERIVATIVE AND APPLICATION THEREOF SHANGHAI MEDICILON INC. (CN) 2023-11-09 — — US disclosed
CN-113880747-B Indole derivative and application thereof 上海美迪西生物医药股份有限公司 2023-05-26 — — CN disclosed
WO-2022002225-A1 INDOLE DERIVATIVE AND APPLICATION THEREOF 上海美迪西生物医药股份有限公司 2022-01-06 — — WO disclosed
WO-2022002225-A1 INDOLE DERIVATIVE AND APPLICATION THEREOF 上海美迪西生物医药股份有限公司 2022-01-06 — — WO disclosed
CN-113880747-A Indole derivative and application thereof 上海美迪西生物医药股份有限公司 2022-01-04 — — CN disclosed
US-7655641-B2 Sulfonamide derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2010-02-02 — — US disclosed
EP-1781608-B1 INDOLE DERIVATIVES COMPRISING AN ACETYLENE GROUP AS PPAR ACTIVATORS HOFFMANN LA ROCHE (CH) 2009-10-21 — — EP disclosed
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 — — US disclosed
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 — — US disclosed
EP-1644368-A1 INDOLYL DERIVATIVES SUBSTITUTED WITH A THIAZOLE RING AND THEIR USE AS PPAR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-04-12 — — EP disclosed
US-20060035956-A1 e.g. {6-[5-(4-trifluoromethoxy-phenyl)-pent-4-ynyloxy]-indol-1-yl}-acetic acid; peroxisome proliferator activated receptor PPAR delta or PPAR alpha agonist; antidiabetic, antiinflammatory agent, cardiovascular disorders; non-insulin dependent diabetes, insulin resistance, atherosclerosis HOFFMANN-LA ROCHE INC. 2006-02-16 — — US disclosed
US-6995263-B2 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2006-02-07 — — US disclosed
US-20060014785-A1 BICYCLIC, SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION METABOLEX, INC. (US) 2006-01-19 — — US disclosed
WO-2005085235-A1 PYRAZOLYL INDOLYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 — — WO disclosed
US-20050203160-A1 Indolyl derivatives HOFFMANN-LA ROCHE INC. 2005-09-15 — — US disclosed
WO-2005049606-A1 HETEROARYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 — — WO disclosed
US-20050096353-A1 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 — — US disclosed
WO-2005005423-A1 INDOLYL DERIVATIVES SUBSTITUTED WITH A THIAZOLE RING AND THEIR USE AS PPAR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-20 — — WO disclosed
US-20050004187-A1 Thiazolyl-indole derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-01-06 — — 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 (6 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-20060014785-A1 BICYCLIC, SUBSTITUTED TRIAZOLES AS MODULATORS OF PPAR AND METHODS OF THEIR PREPARATION PPARG, PPARD, GPR119 F2 753/4885ATM 2073/4885TNF 4205/4885
US-20230357148-A1 INDOLE DERIVATIVE AND APPLICATION THEREOF S1PR1, S1PR3, S1PR5 F2 1578/4885ATM 3597/4885TNF 963/4885
US-20060035956-A1 e.g. {6-[5-(4-trifluoromethoxy-phenyl)-pent-4-ynyloxy]-indol-1-yl}-acetic acid; peroxisome proliferator activated receptor PPAR delta or PPAR alpha agonist; antidiabetic, antiinflammatory agent, cardiovascular disorders; non-insulin dependent diabetes, insulin resistance, atherosclerosis PPARD, PPARG, PPARA F2 1386/4885ATM 2916/4885TNF 349/4885
US-20050203160-A1 Indolyl derivatives PPARD, PPARA, PPARG F2 1914/4885ATM 3217/4885TNF 1902/4885
US-20050004187-A1 Thiazolyl-indole derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG F2 2982/4885ATM 2484/4885TNF 1977/4885
US-20050096353-A1 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG F2 1561/4885ATM 3382/4885TNF 1494/4885

“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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