SCHEMBL12712459

SCHEMBL12712459

CCC(CC)CCCN1C(=O)S/C(=C\c2cc(Br)cc(Br)c2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CISD1 Q9NZ45 3/20 0.46
▸ SLC2A1 P11166 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MAPK1 P28482 3/20 0.41
▸ MAOA P21397 3/20 0.41
▸ MAOB P27338 3/20 0.41
▸ MYC P01106 2/20 0.41
▸ COMT P21964 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ MCL1 Q07820 1/20 0.38
▸ MAX P61244 1/20 0.38

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
SCHEMBL1613879 0.85 SLC2A1 (0.57) CISD1SLC2A1ALDH1A1KDM4ETHRB
SCHEMBL1614903 0.83 SLC2A1 (0.51) CISD1SLC2A1ALDH1A1KDM4ETHRB
SCHEMBL12712446 0.81 COMT (0.50) CISD1SLC2A1ALDH1A1KDM4ETHRB
SCHEMBL12712428 0.79 SLC2A1 (0.57) CISD1SLC2A1ALDH1A1KDM4ETHRB
SCHEMBL12737009 0.78 SLC2A1 (0.61) CISD1SLC2A1ALDH1A1MAPK1MAOA
SCHEMBL1614287 0.77 MCL1 (0.47) CISD1SLC2A1ALDH1A1KDM4EKMT2A
SCHEMBL12736548 0.76 SLC2A1 (0.78) CISD1SLC2A1ALDH1A1KMT2AMYC
SCHEMBL1612918 0.71 PPARG (0.50) ALDH1A1KDM4EKMT2AMAPK1PTPN1
SCHEMBL2172845 0.70 HSD17B3 (0.56) CISD1SLC2A1KDM4EKMT2AMCL1
SCHEMBL2172849 0.70 HSD17B3 (0.56) CISD1SLC2A1KDM4EKMT2AMCL1

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 5 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-8383656-B2 Thiazolidinedione energy restriction-mimetic agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-02-26 — — US disclosed
WO-2011044548-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-04-14 — — WO disclosed
US-20110086895-A1 THIAZOLIDINEDIONE ENERGY RESTRICTION-MIMETIC AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-04-14 — — 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 CISD1 2625/4885SLC2A1 76/4885ALDH1A1 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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