SCHEMBL17784374

SCHEMBL17784374

CCOC(=O)/C(=N\[S+]([O-])C(C)(C)C)c1cccc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
CYP19A1 P11511 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.39
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
ELANE P08246 2/20 0.38
HPGD P15428 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53BP1 Q12888 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL14903705 1.00 ALDH1A1 (0.42) ALDH1A1KDM4EGAACYP19A1NPC1
SCHEMBL14889692 1.00 ALDH1A1 (0.42) ALDH1A1KDM4EGAACYP19A1NPC1
SCHEMBL14889682 0.84 ALDH1A1 (0.39) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL14889683 0.84 ALDH1A1 (0.39) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL14889681 0.84 ALDH1A1 (0.39) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL14903758 0.84 ALDH1A1 (0.39) ALDH1A1GAANPC1RAB9ASMN1; SMN2
SCHEMBL18946109 0.84 PDCD1 (0.46) GAASMN1; SMN2ELANE
SCHEMBL1173622 0.80 KMT2A (0.38) ALDH1A1KDM4EGAASMN1; SMN2MAPK1
SCHEMBL1173623 0.80 KMT2A (0.38) ALDH1A1KDM4EGAASMN1; SMN2MAPK1
SCHEMBL1173625 0.80 KMT2A (0.38) ALDH1A1KDM4EGAASMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828350-B2 5,6-dihydro-2H-[1,4]oxazin-3-yl-amine derivatives useful as inhibitors of beta-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2017-11-28 US disclosed
EP-2580200-B1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2016-09-14 EP disclosed
US-20160152581-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (US) 2016-06-02 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 (1 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-20160152581-A1 5,6-DIHYDRO-2H-[1,4]OXAZIN-3-YL-AMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 ALDH1A1 3229/4885KDM4E 3667/4885GAA 58/4885

“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.