SCHEMBL3044967

SCHEMBL3044967

CS(=O)(=O)c1ccc(Cn2c3c(c4cc(F)cc(F)c42)CCCC3CC(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 1.00
ALDH1A1 P00352 1/20 1.00
CYP3A4 P08684 1/20 1.00
MAPT P10636 1/20 1.00
CYP2C9 P11712 1/20 1.00
HPGD P15428 1/20 1.00
MAPK1 P28482 1/20 1.00
CYP2C19 P33261 1/20 1.00
KMT2A Q03164 1/20 1.00
HSD17B10 Q99714 1/20 1.00
PTGDR Q13258 10/20 0.78
TBXA2R P21731 10/20 0.78
PDE2A O00408 10/20 0.74
PDE4A P27815 1/20 0.66
TSPO P30536 1/20 0.66
PTGER1 P34995 1/20 0.66
DRD3 P35462 1/20 0.66
PTGFR P43088 1/20 0.66
PTGER3 P43115 1/20 0.66
PTGER2 P43116 1/20 0.66

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
SCHEMBL6904869 0.91 MEN1 (0.82) MEN1ALDH1A1CYP3A4MAPTCYP2C9
SCHEMBL6901464 0.90 TBXA2R (0.89) MEN1ALDH1A1CYP3A4MAPTCYP2C9
SCHEMBL6902249 0.89 MEN1 (0.80) MEN1ALDH1A1CYP3A4MAPTCYP2C9
SCHEMBL9518470 0.88 TBXA2R (1.00) MEN1ALDH1A1CYP3A4MAPTCYP2C9
SCHEMBL6901522 0.87 PTGDR (0.81) MEN1ALDH1A1CYP3A4MAPTCYP2C9
SCHEMBL6948603 0.87 TBXA2R (0.77) MEN1ALDH1A1CYP3A4MAPTCYP2C9
SCHEMBL6907420 0.86 TBXA2R (0.80) MEN1ALDH1A1CYP3A4MAPTCYP2C9
SCHEMBL6903085 0.86 TBXA2R (0.80) MEN1ALDH1A1CYP3A4MAPTCYP2C9
SCHEMBL10471370 0.86 TBXA2R (0.78) MEN1ALDH1A1CYP3A4MAPTCYP2C9
SCHEMBL6949873 0.85 PDE2A (0.85) MEN1ALDH1A1CYP3A4MAPTCYP2C9

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242068-A4 ENDOGENOUS NITRIC OXIDE SYNTHESIS UNDER CONDITIONS OF LOW OXYGEN TENSION NITROMED INC (US) 2007-04-25 EP claimed
US-20030109543-A1 Novel combination of an ADP-receptor blocking antiplatelet drug and a thromboxane A2 receptor antagonist and a method for inhibiting thrombus formation employing such combination OGLETREE MARTIN L (US) 2003-06-12 US claimed
US-20030050305-A1 Thromboxane inhibitors, compositions and methods of use NITROMED, INC. 2003-03-13 US claimed
EP-1242068-A1 ENDOGENOUS NITRIC OXIDE SYNTHESIS UNDER CONDITIONS OF LOW OXYGEN TENSION Nitromed, Inc. (US) 2002-09-25 EP claimed
WO-2001089519-A1 THROMBOXANE INHIBITORS, COMPOSITIONS AND METHODS OF USE RELATED APPLICATIONS NITROMED, INC. (US) 2001-11-29 WO claimed
WO-2001032167-A1 ENDOGENOUS NITRIC OXIDE SYNTHESIS UNDER CONDITIONS OF LOW OXYGEN TENSION NITROMED, INC. (US) 2001-05-10 WO claimed
US-5462726-A Suppressing vasoconstriction BRISTOL-MYERS SQUIBB COMPANY (US) 1995-10-31 US claimed
EP-0448274-A2 Use of a thromboxane A2 receptor antagonist for the manufacture of a medicament for the treatment of ulcerative gastrointestinal conditions E.R. SQUIBB & SONS, INC. (US) 1991-09-25 EP claimed
EP-0310179-A2 Tetrahydrocarbazole esters MERCK FROSST CANADA INC. (CA) 1989-04-05 EP claimed
EP-0307077-A1 Tetrahydrocarbazoles for the improvement of cyclosporin therapy MERCK FROSST CANADA INC. (CA) 1989-03-15 EP claimed
EP-0300676-A2 Tetrahydrocarbazole 1-alkanoic acids MERCK FROSST CANADA INC. (CA) 1989-01-25 EP claimed
US-20230129262-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS OF THROMBOXANE A2 RECEPTOR ANTAGONIST FOR THE TREATMENT OF COVID-19 OGLETREE MARTIN (US) 2023-04-27 US disclosed
CN-115666560-A Methods and pharmaceutical compositions for treating thromboxane A2 receptor antagonists of COVID-19 马丁·奥格特树 2023-01-31 CN disclosed
CN-115624549-A Compositions and methods for treating muscular dystrophy using thromboxane-A2 receptor antagonists 坎伯兰医药品股份有限公司 2023-01-20 CN disclosed
CN-109152767-B Compositions and methods for treating muscular dystrophy using thromboxane-A2 receptor antagonists 坎伯兰医药品股份有限公司 2022-10-21 CN disclosed
EP-0310179-A2 Tetrahydrocarbazole esters MERCK FROSST CANADA INC. (CA) 1989-04-05 EP disclosed
EP-0307077-A1 Tetrahydrocarbazoles for the improvement of cyclosporin therapy MERCK FROSST CANADA INC. (CA) 1989-03-15 EP disclosed
US-4808608-A ANTIALLERGENS, HYPOTENSIVE AGENT, ANTICOAGULANT MERCK & CO., INC. (US) 1989-02-28 US disclosed
EP-0300675-A2 Method for the improvement of cyclosporine therapy MERCK FROSST CANADA INC. (CA) 1989-01-25 EP disclosed
EP-0300676-A2 Tetrahydrocarbazole 1-alkanoic acids MERCK FROSST CANADA INC. (CA) 1989-01-25 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 (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-20030109543-A1 Novel combination of an ADP-receptor blocking antiplatelet drug and a thromboxane A2 receptor antagonist and a method for inhibiting thrombus formation employing such combination PTAFR, TBXA2R, PLAT MEN1 3049/4885ALDH1A1 1871/4885CYP3A4 522/4885

“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.