Sugi Predict

Sugi Predict / Compounds / SCHEMBL15928646

SCHEMBL15928646

SCHEMBL15928646

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ EPHX2 P34913 4/20 0.33
▸ CPB2 Q96IY4 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CTSK P43235 2/20 0.31
▸ MAPT P10636 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL15928499 1.00 KMT2A (0.34) KMT2AALDH1A1MEN1TSHREPHX2
SCHEMBL10089091 0.82 KMT2A (0.37) KMT2AALDH1A1MEN1TSHRCPB2
SCHEMBL13415252 0.82 KMT2A (0.37) KMT2AALDH1A1MEN1TSHRCPB2
SCHEMBL15928507 0.81 EPHX2 (0.31) KMT2AALDH1A1MEN1EPHX2MAPK1
SCHEMBL15928488 0.81 EPHX2 (0.31) KMT2AALDH1A1MEN1EPHX2MAPK1
SCHEMBL17518905 0.79 EPHX2 (0.36) KMT2AALDH1A1MEN1EPHX2MAPK1
SCHEMBL15928671 0.79 EPHX2 (0.36) KMT2AALDH1A1MEN1EPHX2MAPK1
SCHEMBL15928468 0.79 EPHX2 (0.36) KMT2AALDH1A1MEN1EPHX2MAPK1
SCHEMBL2617639 0.79 KMT2A (0.35) KMT2AALDH1A1MEN1TSHRCPB2
SCHEMBL24325591 0.79 EPHX1 (0.39) EPHX2MAPK1SMN1; SMN2

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 KMT2A 760/4885ALDH1A1 68/4885MEN1 4406/4885
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 71/4885MEN1 4312/4885
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 66/4885MEN1 4407/4885
US-20170044156-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, SAV1 KMT2A 404/4885ALDH1A1 55/4885MEN1 4302/4885

“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.