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SCHEMBL15928649

SCHEMBL15928649

CCCCOC[C@@H]1C[C@]1(C(=O)O)C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAPK1 P28482 1/20 0.33
▸ EPHX2 P34913 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ F10 P00742 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ HCAR2 Q8TDS4 1/20 0.31
▸ ATM Q13315 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
SCHEMBL15928445 1.00 SMN1; SMN2 (0.36) SMN1; SMN2MAPK1EPHX2ALDH1A1F10
SCHEMBL15928444 0.93 SMN1; SMN2 (0.39) SMN1; SMN2MAPK1EPHX2ALDH1A1TDP1
SCHEMBL12057960 0.93 SMN1; SMN2 (0.39) SMN1; SMN2MAPK1EPHX2ALDH1A1TDP1
SCHEMBL15928651 0.83 SMN1; SMN2 (0.34) SMN1; SMN2EPHX2
SCHEMBL15928479 0.82 SMN1; SMN2 (0.31) SMN1; SMN2MAPK1
SCHEMBL7392445 0.78 MAPK1 (0.36) SMN1; SMN2MAPK1ALDH1A1F10ATM
SCHEMBL7392441 0.78 MAPK1 (0.36) SMN1; SMN2MAPK1ALDH1A1F10ATM
SCHEMBL7392443 0.78 MAPK1 (0.36) SMN1; SMN2MAPK1ALDH1A1F10ATM
SCHEMBL15325061 0.78 MAPK1 (0.36) SMN1; SMN2MAPK1ALDH1A1F10ATM
SCHEMBL15928487 0.77 SMN1; SMN2 (0.33) SMN1; SMN2EPHX2

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 SMN1; SMN2 3434/4885MAPK1 793/4885EPHX2 3863/4885
US-20160046641-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, IMPA1 SMN1; SMN2 3249/4885MAPK1 757/4885EPHX2 3861/4885
US-20140221378-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, IMPA1 SMN1; SMN2 3538/4885MAPK1 636/4885EPHX2 3793/4885
US-20170044156-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, SAV1 SMN1; SMN2 3477/4885MAPK1 523/4885EPHX2 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.