Sugi Predict

Sugi Predict / Compounds / SCHEMBL3569333

SCHEMBL3569333

SCHEMBL3569333

CCOC(=O)c1cc2ccc(C(C)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN2 P17706 2/20 0.46
▸ MAPT P10636 4/20 0.42
▸ GAA P10253 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ STING1 Q86WV6 4/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HDAC1 Q13547 3/20 0.39
▸ HDAC3 O15379 2/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39

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
SCHEMBL3572202 0.88 PTPN2 (0.49) PTPN2MAPTGAAKDM4ESTING1
SCHEMBL3502515 0.86 PTPN2 (0.48) PTPN2MAPTGAAKDM4ESTING1
SCHEMBL3613052 0.82 PTPN2 (0.55) PTPN2MAPTGAAKDM4ESTING1
SCHEMBL2080982 0.81 PTPN2 (0.48) PTPN2MAPTGAAKDM4ESTING1
SCHEMBL3565432 0.80 PTPN2 (0.50) PTPN2MAPTGAAKDM4ESTING1
SCHEMBL3573978 0.79 PTPN2 (0.52) PTPN2MAPTGAAKDM4ESTING1
SCHEMBL3820707 0.79 PTPN2 (0.52) PTPN2MAPTGAAKDM4ESTING1
SCHEMBL3568980 0.78 PTPN2 (0.46) PTPN2MAPTGAAKDM4ESTING1
SCHEMBL8250276 0.77 HDAC1 (0.60) PTPN2MAPTGAAKDM4ESTING1
SCHEMBL2082522 0.77 ESR1 (0.52) PTPN2MAPTGAAKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 — — US disclosed
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 — — US disclosed
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 — — US disclosed
US-7772238-B2 Benzothiophene hydroxamic acid derivatives MERCK SHARP & DOHME CORP. (US) 2010-08-10 — — US disclosed
US-7772238-B2 Benzothiophene hydroxamic acid derivatives MERCK SHARP & DOHME CORP. (US) 2010-08-10 — — US disclosed
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 — — US disclosed
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 — — US disclosed
US-20090069391-A1 Benzothiophene hydroxamic acid derivatives MERCK SHARP & DOHME LLC 2009-03-12 — — US disclosed
US-20090069391-A1 Benzothiophene hydroxamic acid derivatives MERCK SHARP & DOHME LLC 2009-03-12 — — US disclosed
WO-2006115835-A2 BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES MERCK & CO., INC. (US) 2006-11-02 — — 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 (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-20090069391-A1 Benzothiophene hydroxamic acid derivatives BRDT, HDAC5, BRPF3 PTPN2 747/4885MAPT 1130/4885GAA 1401/4885
US-20090082308-A1 Benzothiophene derivatives BRDT, HDAC5, BRPF3 PTPN2 940/4885MAPT 782/4885GAA 2196/4885

“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.