SCHEMBL12712445

SCHEMBL12712445

CCC(CC)CN1C(=O)S/C(=C\c2cc(C)c(O)c(O)c2)C1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.61
▸ COMT P21964 1/20 0.56
▸ BAG3 O95817 1/20 0.48
▸ KMT2A Q03164 5/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ USP2 O75604 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PPARG P37231 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ CISD1 Q9NZ45 2/20 0.40
▸ THRB P10828 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ NPSR1 Q6W5P4 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
SCHEMBL12712457 0.88 COMT (0.53) SLC2A1COMTBAG3KMT2AALDH1A1
SCHEMBL12712446 0.87 COMT (0.50) SLC2A1COMTBAG3KMT2AALDH1A1
SCHEMBL12712427 0.86 SLC2A1 (0.73) SLC2A1COMTBAG3KMT2AALDH1A1
SCHEMBL1614974 0.84 SLC2A1 (0.77) SLC2A1COMTBAG3KMT2AALDH1A1
SCHEMBL1613879 0.79 SLC2A1 (0.57) SLC2A1COMTBAG3KMT2AALDH1A1
SCHEMBL1614901 0.79 SLC2A1 (0.69) SLC2A1COMTBAG3KMT2AALDH1A1
SCHEMBL16492058 0.78 SLC2A1 (0.54) SLC2A1COMTBAG3KMT2AALDH1A1
SCHEMBL12712455 0.78 ENPP2 (0.57) KMT2AALDH1A1MEN1USP2PPARG
SCHEMBL12712449 0.77 MEN1 (0.50) COMTBAG3KMT2AALDH1A1MEN1
SCHEMBL12712456 0.76 COMT (0.48) COMTBAG3KMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383656-B2 Thiazolidinedione energy restriction-mimetic agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-02-26 — — US disclosed
US-20110086895-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-04-14 — — 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 (1 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-20110086895-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS PCK2, AK2, SIRT6 SLC2A1 76/4885COMT 4225/4885BAG3 2468/4885

“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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