SCHEMBL63753

SCHEMBL63753

CCOC(=O)CCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.50
CYP4A11 Q02928 2/20 0.50
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
ALOX5 P09917 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TOP2A P11388 1/20 0.47
POLB P06746 1/20 0.46
TBXAS1 P24557 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 1/20 0.45
PTPN1 P18031 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
LTA4H P09960 1/20 0.43
TNF P01375 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
Bromide SCHEMBL27496529 0.98 CYP4F2 (0.49) CYP4F2CYP4A11ALDH1A1CYP3A4CYP2D6
SCHEMBL8374043 0.95 CYP4F2 (0.52) CYP4F2CYP4A11ALDH1A1CYP3A4CYP2D6
SCHEMBL12824143 0.94 CYP4F2 (0.51) CYP4F2CYP4A11ALDH1A1CYP3A4CYP2D6
SCHEMBL14423636 0.94 CYP4F2 (0.51) CYP4F2CYP4A11ALDH1A1CYP3A4CYP2D6
SCHEMBL63769 0.94 CYP4F2 (0.51) CYP4F2CYP4A11ALDH1A1CYP3A4CYP2D6
SCHEMBL13783861 0.94 CYP4F2 (0.51) CYP4F2CYP4A11ALDH1A1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL28126868 0.94 CYP4F2 (0.51) CYP4F2CYP4A11ALDH1A1CYP3A4CYP2D6
SCHEMBL9466644 0.90 SMN1; SMN2 (0.50) CYP4F2CYP4A11ALDH1A1CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL29086676 0.89 SMN1; SMN2 (0.49) CYP4F2CYP4A11ALDH1A1CYP3A4CYP2D6
Bromide SCHEMBL10944555 0.89 SMN1; SMN2 (0.49) CYP4F2CYP4A11ALDH1A1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0877298-B1 Coated xerographic photographic paper XEROX CORP (US) 2001-08-29 EP claimed
EP-3831841-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T Global Inc. (US) 2021-06-09 EP disclosed
US-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2019-05-23 US disclosed
WO-2017200984-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2017-11-23 WO disclosed
EP-2326616-B1 PROCESS FOR THE SYNTHESIS OF EZETIMIBE AND INTERMEDIATES USEFUL THEREFORE LEK PHARMACEUTICALS (SI) 2017-03-08 EP disclosed
US-8129552-B2 for transporting drugs or as gene transport vehicles, as solubilizers for drugs of low solubility in water, and themselves as active ingredients against diseases such as cancer or leishmaniosis; (Z)-6-octadecenyl-1-phospho-N,N,N-trimethylpropylammonium MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2012-03-06 US disclosed
US-20110183956-A1 PROCESS FOR THE SYNTHESIS OF EZETIMIBE AND INTERMEDIATES USEFUL THEREFOR LEK PHARMACEUTICALS D.D. (SI) 2011-07-28 US disclosed
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-20080214849-A1 PHOSPHOLIPIDS WITH UNSATURATED ALKYL AND ACYL CHAINS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSHAFTEN E.V. (DE) 2008-09-04 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
WO-1989012628-A1 QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-12-28 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 (5 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 CYP4F2 998/4885CYP4A11 1412/4885ALDH1A1 273/4885
US-20110183956-A1 PROCESS FOR THE SYNTHESIS OF EZETIMIBE AND INTERMEDIATES USEFUL THEREFOR FAR1, SOAT1, SOAT2 CYP4F2 65/4885CYP4A11 34/4885ALDH1A1 662/4885
US-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF MALT1, MYLK2, FKBP1B CYP4F2 913/4885CYP4A11 639/4885ALDH1A1 2805/4885
US-20080214849-A1 PHOSPHOLIPIDS WITH UNSATURATED ALKYL AND ACYL CHAINS PHOSPHO1, PLTP, SGMS1 CYP4F2 1638/4885CYP4A11 2761/4885ALDH1A1 4394/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 CYP4F2 998/4885CYP4A11 1412/4885ALDH1A1 273/4885

“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.