SCHEMBL15928488

SCHEMBL15928488

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.30
MAPK1 P28482 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
SCHEMBL15928507 1.00 EPHX2 (0.31) EPHX2SMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL15928646 0.81 KMT2A (0.34) EPHX2SMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL15928499 0.81 KMT2A (0.34) EPHX2SMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL15927921 0.79 PPARA (0.42) KMT2A
SCHEMBL15927912 0.79 PPARA (0.42) KMT2A
SCHEMBL15928502 0.79 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL15928671 0.77 EPHX2 (0.36) EPHX2SMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL15928468 0.77 EPHX2 (0.36) EPHX2SMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL17518905 0.77 EPHX2 (0.36) EPHX2SMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL15928514 0.74 EPHX2 (0.34) EPHX2SMN1; SMN2KMT2AALDH1A1MEN1

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 3863/4885SMN1; SMN2 3434/4885KMT2A 760/4885
US-20160046641-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, IMPA1 EPHX2 3861/4885SMN1; SMN2 3249/4885KMT2A 660/4885
US-20140221378-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, IMPA1 EPHX2 3793/4885SMN1; SMN2 3538/4885KMT2A 443/4885
US-20170044156-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, SAV1 EPHX2 3990/4885SMN1; SMN2 3477/4885KMT2A 404/4885

“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.