SCHEMBL2108797

SCHEMBL2108797

CCC1OCC(NC(=S)NC(=O)c2ccccc2)(c2ccccc2F)C1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.41
ALDH1A1 P00352 10/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 3/20 0.37
GLA P06280 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
RECQL P46063 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK1 P28482 1/20 0.35
MITF O75030 1/20 0.34

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
SCHEMBL2108798 1.00 EPHX1 (0.41) EPHX1ALDH1A1SMN1; SMN2GAALMNA
SCHEMBL8034193 1.00 EPHX1 (0.41) EPHX1ALDH1A1SMN1; SMN2GAALMNA
SCHEMBL11293044 0.91 EPHX1 (0.42) EPHX1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL2619901 0.90 EPHX1 (0.39) EPHX1ALDH1A1SMN1; SMN2GAALMNA
SCHEMBL2108331 0.90 EPHX1 (0.39) EPHX1ALDH1A1SMN1; SMN2GAALMNA
SCHEMBL3773875 0.90 EPHX1 (0.39) EPHX1ALDH1A1SMN1; SMN2GAALMNA
SCHEMBL2631696 0.90 EPHX1 (0.39) EPHX1ALDH1A1SMN1; SMN2GAALMNA
SCHEMBL3803423 0.89 EPHX1 (0.42) EPHX1ALDH1A1SMN1; SMN2GAALMNA
SCHEMBL2631629 0.89 EPHX1 (0.42) EPHX1ALDH1A1SMN1; SMN2GAALMNA
SCHEMBL18597910 0.89 EPHX1 (0.42) EPHX1ALDH1A1SMN1; SMN2GAALMNA

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
EP-2233474-B1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2015-08-05 EP 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-20130203741-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-08 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 (4 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 EPHX1 1106/4885ALDH1A1 3053/4885SMN1; SMN2 1291/4885
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 EPHX1 1106/4885ALDH1A1 3053/4885SMN1; SMN2 1291/4885
US-20120094984-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 EPHX1 1106/4885ALDH1A1 3053/4885SMN1; SMN2 1291/4885
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 EPHX1 2197/4885ALDH1A1 2468/4885SMN1; SMN2 857/4885

“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.