Sugi Predict

Sugi Predict / Compounds / SCHEMBL992106

SCHEMBL992106

SCHEMBL992106

C=C[C@@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)OC(CC)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KIF11 P52732 5/20 0.35
▸ TK1 P04183 2/20 0.34
▸ PPARG P37231 5/20 0.34
▸ PPARA Q07869 5/20 0.34
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ CTSK P43235 1/20 0.32

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
SCHEMBL20875702 0.76 TSHR (0.36) KIF11TK1KMT2AALDH1A1TSHR
SCHEMBL2932652 0.76 TSHR (0.36) KIF11TK1KMT2AALDH1A1TSHR
SCHEMBL2619884 0.75 SMN1; SMN2 (0.38) SMN1; SMN2TK1KMT2AALDH1A1TSHR
SCHEMBL8036817 0.75 SMN1; SMN2 (0.38) SMN1; SMN2TK1KMT2AALDH1A1TSHR
SCHEMBL2179039 0.75 KMT2A (0.42) SMN1; SMN2KIF11TK1PPARGPPARA
SCHEMBL23215125 0.73 KIF11 (0.41) KIF11TK1PPARGPPARA
SCHEMBL2177225 0.73 CYP1A2 (0.43) KIF11TK1PPARGKMT2AKCNH2
SCHEMBL23215123 0.73 KIF11 (0.41) KIF11TK1PPARGPPARA
SCHEMBL23217333 0.73 KIF11 (0.41) KIF11TK1PPARGPPARA
SCHEMBL18011761 0.72 NPSR1 (0.36) KIF11TK1ALDH1A1TSHRCTSK

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079914-B2 Fused aminodihydro-oxazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-07-14 — — US disclosed
US-8946211-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 — — US disclosed
US-20130203741-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-08 — — US disclosed
US-20120202804-A1 FUSED AMINODIHYDRO-OXAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-09 — — US disclosed
US-20120094984-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 — — US disclosed
US-8158620-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-17 — — US disclosed
WO-2011009898-A1 FUSED AMINODIHYDRO-OXAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD (JP) 2011-01-27 — — WO 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 (3 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-20130203741-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 SMN1; SMN2 1291/4885KIF11 3550/4885TK1 3547/4885
US-20120202804-A1 FUSED AMINODIHYDRO-OXAZINE DERIVATIVES BACE1, APP, BACE2 SMN1; SMN2 677/4885KIF11 3592/4885TK1 3421/4885
US-20120094984-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 SMN1; SMN2 1291/4885KIF11 3550/4885TK1 3547/4885

“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.