Sugi Predict

Sugi Predict / Compounds / SCHEMBL2803500

SCHEMBL2803500

SCHEMBL2803500

CC(=C1C(=O)OC(C)(C)OC1=O)C1CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.46
▸ ACP1 P24666 2/20 0.39
▸ CDC25B P30305 2/20 0.39
▸ LMNA P02545 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL25374330 0.84 PTPN1 (0.38) PTPN1ACP1CDC25BALDH1A1GAA
SCHEMBL70825 0.73 PTPN1 (0.56) PTPN1ACP1CDC25BLMNAHSD17B10
SCHEMBL9190067 0.72 PTPN1 (0.46) PTPN1ACP1CDC25BLMNAHSD17B10
SCHEMBL8194669 0.72 PTPN1 (0.59) PTPN1ACP1CDC25BLMNAHSD17B10
SCHEMBL433630 0.70 MAPT (0.42) PTPN1ACP1CDC25BLMNAHSD17B10
SCHEMBL15564116 0.68 PTPN1 (0.50) PTPN1ACP1CDC25BLMNAHSD17B10
SCHEMBL21810871 0.68 PTPN1 (0.50) PTPN1ACP1CDC25BLMNAHSD17B10
SCHEMBL13403500 0.67 PTPN1 (0.59) PTPN1ACP1CDC25BLMNAHSD17B10
SCHEMBL1549875 0.67 PTPN1 (0.41) PTPN1ACP1CDC25BLMNAHSD17B10
SCHEMBL9193677 0.67 PTPN1 (0.44) PTPN1ACP1CDC25BLMNAALDH1A1

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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 — — US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 — — US disclosed
US-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS INCYTE CORPORATION 2013-11-07 — — US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 — — US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 — — US disclosed
US-8481732-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-07-09 — — US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 — — US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 — — US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 — — US disclosed
WO-2010108059-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR INCYTE CORPORATION (US) 2010-09-23 — — 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-20130296327-A1 SUBSTITUTED HETEROCYLIC COMPOUNDS HRH4, HRH2, HRH1 PTPN1 2207/4885ACP1 2552/4885CDC25B 3414/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 PTPN1 2021/4885ACP1 2967/4885CDC25B 2397/4885

“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.