SCHEMBL2960949

SCHEMBL2960949

OC(=S)c1ccc(C(F)(F)F)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ CES2 O00748 2/20 0.44
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ MPL P40238 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ NQO2 P16083 1/20 0.38
▸ KIF11 P52732 1/20 0.38
▸ CFTR P13569 1/20 0.38
▸ ESR1 P03372 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ P2RX1 P51575 1/20 0.36
▸ P2RX4 Q99571 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ TMPRSS4 Q9NRS4 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
SCHEMBL10455842 0.84 MEN1 (0.44) ALDH1A1KDM4EHPGDHSD17B10CES2
SCHEMBL8301631 0.80 RXRA (0.47) ALDH1A1KDM4EHPGDHSD17B10CES2
SCHEMBL115659 0.80 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDHSD17B10CES2
SCHEMBL27866247 0.78 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDHSD17B10CES2
SCHEMBL21078872 0.76 KDM4E (0.42) ALDH1A1KDM4EHPGDHSD17B10CES2
SCHEMBL2960943 0.74 CES2 (0.52) ALDH1A1KDM4EHPGDHSD17B10CES2
SCHEMBL17730406 0.74 KDM4E (0.44) ALDH1A1KDM4EHPGDHSD17B10CES2
SCHEMBL1451777 0.74 MAPT (0.57) ALDH1A1KDM4EHPGDHSD17B10CES2
SCHEMBL29540816 0.74 MAPT (0.57) ALDH1A1KDM4EHPGDHSD17B10CES2
SCHEMBL3717282 0.74 CES2 (0.43) ALDH1A1KDM4EHPGDHSD17B10CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767665-B2 3-[6-(4-oxo-4H-1,3-benzothiazin-2-yl)-2-pyridyl]propionic acid, having an excellent apoptosis inhibitory and Macrophage migration inhibitory factor (MIF) binding effects, used for preventing and/or treating cancers, AIDS, cardiovascular, neurodegeneartive, bone, kidney and liver disoders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-03 — — US disclosed
US-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-03-26 — — US disclosed
US-7399759-B2 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-15 — — US disclosed
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-10 — — US disclosed
EP-1424336-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-06-02 — — 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 (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-20090082343-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF MIF, MORF4L1, FOXM1 ALDH1A1 273/4885KDM4E 3627/4885HPGD 1550/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 ALDH1A1 273/4885KDM4E 3627/4885HPGD 1550/4885

“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.

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