SCHEMBL3301617

SCHEMBL3301617

C=CC[C@H](COCc1ccccc1C=CC[C@@H](O)COCc1ccccc1)OCC(OCC)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
RGS12 O14924 2/20 0.32
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP2C19 P33261 2/20 0.30
TSHR P16473 1/20 0.30
RCE1 Q9Y256 1/20 0.30
MAPT P10636 1/20 0.30
PTGER1 P34995 1/20 0.30
PTGER4 P35408 1/20 0.30
PTGER3 P43115 1/20 0.30
PTGER2 P43116 1/20 0.30

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
SCHEMBL1934826 0.83 HTT (0.41) HTTCA1CA2CA7CA9
SCHEMBL14716764 0.83 HTT (0.41) HTTCA1CA2CA7CA9
SCHEMBL1934828 0.83 HTT (0.41) HTTCA1CA2CA7CA9
SCHEMBL24025165 0.76 CA1 (0.44) HTTCA1CA2CA7CA9
SCHEMBL15366761 0.73 HTT (0.46) HTTCA1CA2CA7CA9
SCHEMBL19725793 0.73 TDP1 (0.40) HTTCA1CA2CA7CA9
SCHEMBL15366759 0.73 HTT (0.46) HTTCA1CA2CA7CA9
SCHEMBL15939262 0.73 HTT (0.46) HTTCA1CA2CA7CA9
SCHEMBL15366764 0.73 HTT (0.46) HTTCA1CA2CA7CA9
SCHEMBL15938941 0.71 MAPT (0.47) HTTCA1CA2CA7CA9

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-8198269-B2 Fused aminodihydrothiazine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-12 US disclosed
US-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-15 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-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, BACE2, APP HTT 267/4885CA1 866/4885CA2 2251/4885

“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.