SCHEMBL2631629

SCHEMBL2631629

CC1OC[C@@](NC(=S)NC(=O)c2ccccc2)(c2ccccc2F)[C@@H]1CO

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.42
ALDH1A1 P00352 10/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 4/20 0.39
GLA P06280 2/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 3/20 0.37
RECQL P46063 1/20 0.37
GAA P10253 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
MITF O75030 1/20 0.36

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
SCHEMBL3803423 1.00 EPHX1 (0.42) EPHX1ALDH1A1LMNAMAPTALOX12
SCHEMBL18597910 1.00 EPHX1 (0.42) EPHX1ALDH1A1LMNAMAPTALOX12
SCHEMBL2632313 1.00 EPHX1 (0.42) EPHX1ALDH1A1LMNAMAPTALOX12
SCHEMBL15986200 0.91 ALDH1A1 (0.41) EPHX1ALDH1A1LMNAMAPTALOX12
SCHEMBL15986201 0.91 ALDH1A1 (0.41) EPHX1ALDH1A1LMNAMAPTALOX12
SCHEMBL2620008 0.90 EPHX1 (0.41) EPHX1ALDH1A1LMNAMAPTALOX12
SCHEMBL11303229 0.89 EPHX1 (0.41) EPHX1ALDH1A1LMNAMAPTALOX12
SCHEMBL11982754 0.89 EPHX1 (0.41) EPHX1ALDH1A1LMNAMAPTALOX12
SCHEMBL8034193 0.89 EPHX1 (0.41) EPHX1ALDH1A1LMNAMAPTALOX12
SCHEMBL2108797 0.89 EPHX1 (0.41) EPHX1ALDH1A1LMNAMAPTALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158620-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-17 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 (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-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 EPHX1 1106/4885ALDH1A1 3053/4885LMNA 1236/4885

“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.