SCHEMBL8030409

SCHEMBL8030409

C[C@H]1OC[C@]2(c3cc([N+](=O)[O-])ccc3F)N=C(N)SCC12

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 16/20 0.56
BACE2 Q9Y5Z0 9/20 0.46
KCNH2 Q12809 2/20 0.44
CTSD P07339 1/20 0.44

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
SCHEMBL2622848 1.00 BACE1 (0.56) BACE1BACE2KCNH2CTSD
SCHEMBL2928070 1.00 BACE1 (0.56) BACE1BACE2KCNH2CTSD
SCHEMBL2620000 0.91 BACE1 (0.49) BACE1BACE2KCNH2CTSD
SCHEMBL11886479 0.89 BACE1 (0.45) BACE1BACE2
SCHEMBL11025468 0.88 BACE1 (0.56) BACE1BACE2CTSD
SCHEMBL2933883 0.88 BACE1 (0.46) BACE1BACE2KCNH2CTSD
SCHEMBL2619886 0.88 BACE1 (0.46) BACE1BACE2KCNH2CTSD
SCHEMBL15835728 0.88 BACE1 (0.48) BACE1BACE2KCNH2CTSD
Hydrochloric Acid SCHEMBL11025691 0.87 BACE1 (0.55) BACE1BACE2CTSD
SCHEMBL11950544 0.86 BACE1 (0.53) BACE1BACE2

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
EP-2665716-B1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2017-03-08 EP disclosed
US-8962858-B2 Methods and compounds useful in the synthesis of fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-24 US disclosed
US-20140309429-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2014-10-16 US disclosed
US-8802871-B2 Methods and compounds useful in the synthesis of fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2014-08-12 US disclosed
US-20130197244-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-01 US disclosed
US-20120190848-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-07-26 US disclosed
WO-2009091016-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-07-23 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-20140309429-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES APP, BACE1, BACE2 BACE1 2/4885BACE2 3/4885KCNH2 3778/4885
US-20130197244-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES APP, BACE1, BACE2 BACE1 2/4885BACE2 3/4885KCNH2 3778/4885
US-20120190848-A1 METHODS AND COMPOUNDS USEFUL IN THE SYNTHESIS OF FUSED AMINODIHYDROTHIAZINE DERIVATIVES APP, BACE1, BACE2 BACE1 2/4885BACE2 3/4885KCNH2 3778/4885

“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.