SCHEMBL15928428

SCHEMBL15928428

CCCCOC1CC(C(=O)O)(C(=O)OCC)C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
ALDH1A1 P00352 1/20 0.34
PPP5C P53041 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
ATM Q13315 2/20 0.33
LIPC P11150 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 1/20 0.31
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
SCHEMBL7700042 0.92 EPHX2 (0.39) EPHX2ALDH1A1PPP5CATML3MBTL1
SCHEMBL7702496 0.87 EPHX2 (0.39) EPHX2ALDH1A1PPP5CHCAR2ATM
SCHEMBL15259142 0.81 EPHX2 (0.39) EPHX2ALDH1A1PPP5CATML3MBTL1
SCHEMBL15318695 0.81 EPHX2 (0.39) EPHX2ALDH1A1PPP5CATML3MBTL1
SCHEMBL13525934 0.80 EPHX2 (0.38) EPHX2ALDH1A1PPP5CATML3MBTL1
SCHEMBL10039979 0.80 EPHX2 (0.38) EPHX2ALDH1A1PPP5CATML3MBTL1
SCHEMBL9914600 0.80 EPHX2 (0.38) EPHX2ALDH1A1PPP5CATML3MBTL1
SCHEMBL32676486 0.79 SMN1; SMN2 (0.34) ALDH1A1ATMMEN1KMT2AGAA
SCHEMBL19363858 0.79 EPHX2 (0.37) EPHX2ALDH1A1PPP5CATML3MBTL1
SCHEMBL17682125 0.77 EPHX2 (0.36) EPHX2ALDH1A1PPP5CATML3MBTL1

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 3863/4885ALDH1A1 68/4885PPP5C 84/4885
US-20160046641-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, IMPA1 EPHX2 3861/4885ALDH1A1 71/4885PPP5C 89/4885
US-20140221378-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, IMPA1 EPHX2 3793/4885ALDH1A1 66/4885PPP5C 135/4885
US-20170044156-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, SAV1 EPHX2 3990/4885ALDH1A1 55/4885PPP5C 151/4885

“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.