Sugi Predict

Sugi Predict / Compounds / SCHEMBL2619976

SCHEMBL2619976

SCHEMBL2619976

CC(C)(C)OC(=O)NC1=N[C@@]2(c3cc([N+](=O)[O-])ccc3F)CCO[C@H](CF)[C@H]2CS1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.34
▸ BACE2 Q9Y5Z0 11/20 0.34
▸ BACE1 P56817 11/20 0.34
▸ GNRHR P30968 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.33

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
SCHEMBL2619970 0.94 DRD2 (0.34) DRD2BACE2BACE1GNRHRALDH1A1
SCHEMBL2619888 0.93 BACE1 (0.38) DRD2BACE2BACE1GNRHRALDH1A1
SCHEMBL2632317 0.93 BACE1 (0.38) DRD2BACE2BACE1GNRHRALDH1A1
SCHEMBL2620010 0.90 BACE1 (0.40) DRD2BACE2BACE1GNRHRALDH1A1
SCHEMBL2619882 0.88 ALDH1A1 (0.38) DRD2BACE2BACE1GNRHRALDH1A1
SCHEMBL2619967 0.88 BACE1 (0.38) BACE2BACE1
SCHEMBL2619906 0.86 BACE1 (0.36) DRD2BACE2BACE1GNRHRALDH1A1
SCHEMBL15171753 0.86 BACE1 (0.36) DRD2BACE2BACE1GNRHRALDH1A1
SCHEMBL2631631 0.86 BACE1 (0.36) DRD2BACE2BACE1GNRHRALDH1A1
SCHEMBL2632338 0.84 BACE1 (0.45) DRD2BACE2BACE1GNRHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946210-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 — — US disclosed
US-8946210-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 — — US disclosed
US-8946211-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 — — US disclosed
US-8946211-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 — — 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
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-16 — — US disclosed
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-20 — — 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 (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-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 DRD2 289/4885BACE2 3/4885BACE1 1/4885
US-20120094984-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 DRD2 289/4885BACE2 3/4885BACE1 1/4885
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 DRD2 485/4885BACE2 3/4885BACE1 1/4885

“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.