SCHEMBL8020967

SCHEMBL8020967

C=CCO[C@@H](C/C=N/O)COCCCC

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G2C Q5R387 1/20 0.37
LPAR1 Q92633 9/20 0.33
LPAR3 Q9UBY5 9/20 0.33
LPAR2 Q9HBW0 4/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.32
TSHR P16473 4/20 0.32
LPAR6 P43657 3/20 0.31
LPAR4 Q99677 3/20 0.31
LPAR5 Q9H1C0 3/20 0.31
HPGD P15428 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL17794223 0.88 PLA2G2C (0.37) PLA2G2CLPAR1LPAR3LPAR2USP2
SCHEMBL14755325 0.85 PLA2G2C (0.35) PLA2G2CLPAR1LPAR3LPAR2USP2
SCHEMBL2632269 0.85 PLA2G2C (0.35) PLA2G2CLPAR1LPAR3LPAR2USP2
SCHEMBL2632262 0.81 PLA2G2C (0.36) PLA2G2CLPAR1LPAR3LPAR2USP2
SCHEMBL10816729 0.79 LPAR1 (0.46) PLA2G2CLPAR1LPAR3LPAR2USP2
SCHEMBL11302968 0.77 LPAR1 (0.49) PLA2G2CLPAR1LPAR3LPAR2USP2
SCHEMBL7784745 0.76 USP2 (0.50) PLA2G2CLPAR1LPAR3LPAR2USP2
SCHEMBL12386622 0.76 TSHR (0.38) PLA2G2CLPAR1LPAR3LPAR2USP2
SCHEMBL17794227 0.75 PLA2G2C (0.36) PLA2G2CLPAR1LPAR3LPAR2USP2
SCHEMBL10564674 0.75 USP2 (0.53) PLA2G2CLPAR1LPAR3LPAR2USP2

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 4 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-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
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 (2 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 PLA2G2C 1803/4885LPAR1 2634/4885LPAR3 2366/4885
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 PLA2G2C 1411/4885LPAR1 2969/4885LPAR3 2794/4885

“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.