SCHEMBL16492057

SCHEMBL16492057

CCC(CC)CN1C(=O)S/C(=C\c2cc(Br)c(O)cc2O)C1=O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.55
▸ CGAS Q8N884 6/20 0.51
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ COMT P21964 1/20 0.41
▸ PTPN1 P18031 6/20 0.41
▸ BAG3 O95817 1/20 0.39
▸ CISD1 Q9NZ45 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
SCHEMBL16492058 0.83 SLC2A1 (0.54) SLC2A1CGASMEN1ALDH1A1LMNA
SCHEMBL16492059 0.83 SLC2A1 (0.57) SLC2A1CGASMEN1ALDH1A1LMNA
SCHEMBL1613879 0.77 SLC2A1 (0.57) SLC2A1CGASMEN1ALDH1A1LMNA
SCHEMBL12712427 0.74 SLC2A1 (0.73) SLC2A1MEN1ALDH1A1LMNAPOLB
SCHEMBL12712445 0.74 SLC2A1 (0.61) SLC2A1MEN1ALDH1A1LMNAPOLB
SCHEMBL1614974 0.71 SLC2A1 (0.77) SLC2A1MEN1ALDH1A1LMNAMAPT
SCHEMBL1614379 0.71 SLC2A1 (1.00) SLC2A1MEN1ALDH1A1LMNAMAPT
SCHEMBL1614903 0.71 SLC2A1 (0.51) SLC2A1CGASMEN1ALDH1A1LMNA
SCHEMBL2176166 0.68 HSD17B3 (0.61) SLC2A1CGASMEN1ALDH1A1KMT2A
SCHEMBL2176164 0.68 HSD17B3 (0.61) SLC2A1CGASMEN1ALDH1A1KMT2A

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-9174951-B2 Glucose transporter inhibitors OHIO STATE INNOVATION FOUNDATION (US) 2015-11-03 — — US disclosed
US-20150051255-A1 GLUCOSE TRANSPORTER INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2015-02-19 — — 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-20150051255-A1 GLUCOSE TRANSPORTER INHIBITORS SLC2A4, SLC2A1, SLC2A2 SLC2A1 2/4885CGAS 4241/4885MEN1 1875/4885

“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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