SCHEMBL12712428

SCHEMBL12712428

CCC(CC)CCCN1C(=O)S/C(=C\c2ccc(O)c(C)c2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 2/20 0.57
▸ BAG3 O95817 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ S1PR1 P21453 3/20 0.46
▸ S1PR3 Q99500 3/20 0.46
▸ CISD1 Q9NZ45 2/20 0.45
▸ MYC P01106 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ BLM P54132 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
SCHEMBL12712446 0.87 COMT (0.50) SLC2A1BAG3ALDH1A1KMT2ASMN1; SMN2
SCHEMBL12712427 0.87 SLC2A1 (0.73) SLC2A1BAG3ALDH1A1KMT2ASMN1; SMN2
SCHEMBL12736548 0.86 SLC2A1 (0.78) SLC2A1BAG3ALDH1A1KMT2ASMN1; SMN2
SCHEMBL12712441 0.80 SLC2A1 (0.57) SLC2A1BAG3ALDH1A1KMT2ASMN1; SMN2
SCHEMBL12712459 0.79 CISD1 (0.46) SLC2A1ALDH1A1KMT2ACISD1MYC
SCHEMBL12737009 0.78 SLC2A1 (0.61) SLC2A1BAG3ALDH1A1SMN1; SMN2CISD1
SCHEMBL8172925 0.78 AKR1B1 (0.69) BAG3
SCHEMBL8172926 0.78 AKR1B1 (0.69) BAG3
SCHEMBL2172845 0.77 HSD17B3 (0.56) SLC2A1BAG3KMT2AMEN1S1PR1
SCHEMBL2172849 0.77 HSD17B3 (0.56) SLC2A1BAG3KMT2AMEN1S1PR1

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 76/4885BAG3 2468/4885ALDH1A1 839/4885

“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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