Sugi Predict

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SCHEMBL15928447

SCHEMBL15928447

CCCCOC[C@H]1C[C@]1(C=O)NC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.32
▸ DPP9 Q86TI2 1/20 0.32
▸ CTSK P43235 3/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL15928504 1.00 EPHX2 (0.34) EPHX2KMT2AALDH1A1MEN1MAPK1
SCHEMBL15928475 1.00 EPHX2 (0.34) EPHX2KMT2AALDH1A1MEN1MAPK1
SCHEMBL15928515 1.00 EPHX2 (0.34) EPHX2KMT2AALDH1A1MEN1MAPK1
SCHEMBL13360863 0.82 KMT2A (0.38) KMT2AALDH1A1MEN1MAPK1DPP8
SCHEMBL13415253 0.82 KMT2A (0.38) KMT2AALDH1A1MEN1MAPK1DPP8
SCHEMBL15928671 0.81 EPHX2 (0.36) EPHX2KMT2AALDH1A1MEN1MAPK1
SCHEMBL15928468 0.81 EPHX2 (0.36) EPHX2KMT2AALDH1A1MEN1MAPK1
SCHEMBL17518905 0.81 EPHX2 (0.36) EPHX2KMT2AALDH1A1MEN1MAPK1
SCHEMBL15928514 0.81 EPHX2 (0.34) EPHX2KMT2AALDH1A1MEN1MAPK1
SCHEMBL15928499 0.76 KMT2A (0.34) 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-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
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

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.