Sugi Predict

Sugi Predict / Compounds / SCHEMBL15928467

SCHEMBL15928467

SCHEMBL15928467

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ APLNR P35414 1/20 0.35
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ CTSK P43235 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CTSL P07711 2/20 0.33
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ EPHX1 P07099 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31
▸ BTK Q06187 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CACNA1H O95180 1/20 0.31
▸ CTSB P07858 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
SCHEMBL15928608 1.00 KMT2A (0.35) KMT2AMEN1MAPK1APLNRITGB3
SCHEMBL15928501 0.83 CTSK (0.37) KMT2AMEN1MAPK1ITGB3ITGA2B
SCHEMBL15928446 0.83 CTSK (0.37) KMT2AMEN1MAPK1ITGB3ITGA2B
SCHEMBL15928454 0.83 CTSK (0.37) KMT2AMEN1MAPK1ITGB3ITGA2B
SCHEMBL15928477 0.83 CTSK (0.37) KMT2AMEN1MAPK1ITGB3ITGA2B
SCHEMBL20005920 0.73 KMT2A (0.32) KMT2A
SCHEMBL13428844 0.73 P2RX7 (0.44) KMT2AMEN1MAPK1APLNRITGB3
SCHEMBL8088306 0.73 KMT2A (0.39) KMT2AMEN1MAPK1APLNRCTSK
SCHEMBL13742611 0.70 MEN1 (0.42) KMT2AMEN1MAPK1APLNRHDAC4
SCHEMBL5428985 0.70 MEN1 (0.42) KMT2AMEN1MAPK1APLNRHDAC4

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 760/4885MEN1 4406/4885MAPK1 793/4885
US-20160046641-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, IMPA1 KMT2A 660/4885MEN1 4312/4885MAPK1 757/4885
US-20140221378-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, IMPA1 KMT2A 443/4885MEN1 4407/4885MAPK1 636/4885
US-20170044156-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, SAV1 KMT2A 404/4885MEN1 4302/4885MAPK1 523/4885

“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.