Sugi Predict

Sugi Predict / Compounds / SCHEMBL15928443

SCHEMBL15928443

SCHEMBL15928443

CCCCOC1CC(C=O)(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.36
▸ KMT2A Q03164 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CTSK P43235 12/20 0.33
▸ HDAC4 P56524 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31

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
SCHEMBL10039980 0.81 EPHX2 (0.36) EPHX2KMT2AALDH1A1MEN1MAPK1
SCHEMBL15928439 0.81 EPHX2 (0.36) EPHX2KMT2AALDH1A1MEN1MAPK1
SCHEMBL15928635 0.80 EPHX2 (0.36) EPHX2KMT2AALDH1A1MEN1MAPK1
SCHEMBL14640490 0.80 EPHX2 (0.36) EPHX2KMT2AALDH1A1MEN1MAPK1
SCHEMBL6884521 0.79 MEN1 (0.39) EPHX2KMT2AMEN1MAPK1CTSK
SCHEMBL15928437 0.79 EPHX2 (0.35) EPHX2KMT2AALDH1A1MEN1MAPK1
SCHEMBL10039978 0.78 EPHX2 (0.37) EPHX2KMT2AALDH1A1MEN1MAPK1
SCHEMBL9914311 0.78 EPHX2 (0.37) EPHX2KMT2AALDH1A1MEN1MAPK1
SCHEMBL29843545 0.76 MEN1 (0.41) EPHX2KMT2AMEN1MAPK1CTSK
SCHEMBL15928529 0.76 CTSK (0.37) EPHX2KMT2AALDH1A1MEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170044156-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2017-02-16 — — US disclosed
US-20160046641-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC (JP) 2016-02-18 — — US disclosed
US-20140221378-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2014-08-07 — — US disclosed
US-20140221380-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2014-08-07 — — 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 (4 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-20140221380-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, IMPA1 EPHX2 3863/4885KMT2A 760/4885ALDH1A1 68/4885
US-20160046641-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, IMPA1 EPHX2 3861/4885KMT2A 660/4885ALDH1A1 71/4885
US-20140221378-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, IMPA1 EPHX2 3793/4885KMT2A 443/4885ALDH1A1 66/4885
US-20170044156-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, SAV1 EPHX2 3990/4885KMT2A 404/4885ALDH1A1 55/4885

“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.