SCHEMBL19210221

SCHEMBL19210221

CCCCCCCCCCCCCCCC/C(=C\C(=O)[O-])C(=O)[O-].[Mg+2]

nearest known ligand 0.55

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 6/20 0.50
CES2 O00748 4/20 0.50
CES1 P23141 4/20 0.50
PPARG P37231 4/20 0.43
PPARD Q03181 4/20 0.43
PPARA Q07869 4/20 0.43
TSHR P16473 3/20 0.43
GPR84 Q9NQS5 3/20 0.43
HDAC11 Q96DB2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
TLR2 O60603 1/20 0.43
MEN1 O00255 1/20 0.43
ESR1 P03372 1/20 0.43
FABP4 P15090 1/20 0.43
ALOX15 P16050 1/20 0.43
PTPN1 P18031 1/20 0.43
PDE4A P27815 1/20 0.43

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
SCHEMBL194236 1.00 FABP3 (0.50) FABP3CES2CES1PPARGPPARD
SCHEMBL6135534 1.00 FABP3 (0.50) FABP3CES2CES1PPARGPPARD
Zinc Ion SCHEMBL9731009 0.96 FABP3 (0.50) FABP3CES2CES1PPARGPPARD
SCHEMBL9679131 0.96 FABP3 (0.50) FABP3CES2CES1PPARGPPARD
SCHEMBL10731314 0.96 FABP3 (0.50) FABP3CES2CES1PPARGPPARD
Zinc Ion SCHEMBL10726528 0.96 FABP3 (0.50) FABP3CES2CES1PPARGPPARD
Zinc Ion SCHEMBL9704026 0.96 FABP3 (0.50) FABP3CES2CES1PPARGPPARD
SCHEMBL9679116 0.96 FABP3 (0.50) FABP3CES2CES1PPARGPPARD
SCHEMBL10732351 0.96 FABP3 (0.50) FABP3CES2CES1PPARGPPARD
SCHEMBL11860350 0.96 FABP3 (0.50) FABP3CES2CES1PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107106568-B Pharmaceutical compositions of fused aminodihydrothiazine derivatives 卫材R&D管理有限公司 2023-09-26 CN disclosed
EP-3205343-B1 PHARMACEUTICAL COMPOSITION OF FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2022-01-26 EP disclosed
US-10117876-B2 Pharmaceutical composition of fused aminodihydrothiazine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-11-06 US disclosed
US-20180263998-A1 PHARMACEUTICAL COMPOSITION OF FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-09-20 US disclosed
US-10076524-B1 2018-09-18 US disclosed
EP-3205343-A1 PHARMACEUTICAL COMPOSITION OF FUSED AMINODIHYDROTHIAZINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2017-08-16 EP 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 (3 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-10076524-B1 H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP3A5, SLC10A1 FABP3 981/4885CES2 1336/4885CES1 1095/4885
US-20180263998-A1 PHARMACEUTICAL COMPOSITION OF FUSED AMINODIHYDROTHIAZINE DERIVATIVE CYP3A5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP7A1 FABP3 2560/4885CES2 2671/4885CES1 2097/4885
US-10117876-B2 Pharmaceutical composition of fused aminodihydrothiazine derivative CYP3A5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP7A1 FABP3 2560/4885CES2 2671/4885CES1 2097/4885

“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.