Sugi Predict

Sugi Predict / Compounds / SCHEMBL15928448

SCHEMBL15928448

SCHEMBL15928448

CCCCOCC1CC(CNC)(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ EPHX2 P34913 4/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ CACNA1B Q00975 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CTSK P43235 2/20 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
SCHEMBL15928426 0.87 KMT2A (0.36) KMT2AALDH1A1EPHX2MEN1MAPK1
SCHEMBL15928425 0.87 KMT2A (0.36) KMT2AALDH1A1EPHX2MEN1MAPK1
SCHEMBL15928437 0.83 EPHX2 (0.35) KMT2AALDH1A1EPHX2MEN1MAPK1
SCHEMBL15928599 0.79 CTSL (0.39) KMT2AALDH1A1EPHX2MEN1MAPK1
SCHEMBL18506733 0.77 PPARA (0.45) KMT2AEPHX2CA12CA1CA7
SCHEMBL17518905 0.75 EPHX2 (0.36) KMT2AALDH1A1EPHX2MEN1MAPK1
SCHEMBL15928671 0.75 EPHX2 (0.36) KMT2AALDH1A1EPHX2MEN1MAPK1
SCHEMBL15928468 0.75 EPHX2 (0.36) KMT2AALDH1A1EPHX2MEN1MAPK1
SCHEMBL15928514 0.75 EPHX2 (0.34) KMT2AALDH1A1EPHX2MEN1MAPK1
SCHEMBL15928454 0.73 CTSK (0.37) KMT2AALDH1A1EPHX2MEN1MAPK1

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 KMT2A 760/4885ALDH1A1 68/4885EPHX2 3863/4885
US-20160046641-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, IMPA1 KMT2A 660/4885ALDH1A1 71/4885EPHX2 3861/4885
US-20140221378-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, IMPA1 KMT2A 443/4885ALDH1A1 66/4885EPHX2 3793/4885
US-20170044156-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, SAV1 KMT2A 404/4885ALDH1A1 55/4885EPHX2 3990/4885

“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.