SCHEMBL4067303

SCHEMBL4067303

COc1ccc2[nH]c(C)c(C(C)C(=O)O)c2c1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.41
PTGS1 P23219 2/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.38
CNR1 P21554 1/20 0.37
MEN1 O00255 1/20 0.37
ABCC4 O15439 1/20 0.37
C5 P01031 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE4D Q08499 1/20 0.37
HTT P42858 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TUBB4A P04350 2/20 0.35
TUBB P07437 2/20 0.35
TUBA3C P0DPH7 2/20 0.35
TUBA1B P68363 2/20 0.35
TUBA4A P68366 2/20 0.35
TUBB4B P68371 2/20 0.35

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
SCHEMBL30056268 1.00 PTGS2 (0.41) PTGS2PTGS1POLBMAPTHPGD
SCHEMBL9094851 0.81 PTPN5 (0.40) PTGS2PTGS1MAPTMEN1ABCC4
SCHEMBL998208 0.79 AKR1C2 (0.46) PTGS2PTGS1POLBMAPTHPGD
SCHEMBL6423220 0.77 PTGS2 (0.36) PTGS2PTGS1MAPTMEN1ABCC4
Potassium SCHEMBL11436513 0.77 POLB (0.41) POLBMAPTHPGDCNR1KMT2A
SCHEMBL5806535 0.76 POLB (0.41) PTGS1POLBMAPTHPGDCNR1
SCHEMBL5154201 0.76 POLB (0.41) POLBMAPTHPGDCNR1MEN1
Water SCHEMBL11448361 0.76 POLB (0.41) PTGS2PTGS1POLBMAPTHPGD
Water SCHEMBL11448359 0.76 POLB (0.41) POLBMAPTHPGDCNR1KMT2A
SCHEMBL8644241 0.76 POLB (0.40) POLBMAPTHPGDCNR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111808011-B High penetration composition and its application 泰飞尔生物医药(苏州)有限公司 2024-02-27 CN disclosed
US-20230233516-A1 HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS TECHFIELDS PHARMA CO., LTD (CN) 2023-07-27 US disclosed
CN-113636965-A High penetration composition and application thereof 于崇曦 2021-11-12 CN disclosed
CN-107320732-B High penetration composition and application thereof 于崇曦 2021-09-07 CN disclosed
CN-108191846-B High penetration composition and application thereof 于崇曦 2021-08-20 CN disclosed
CN-111808011-A High penetration composition and application thereof 于崇曦 2020-10-23 CN disclosed
US-9872846-B2 High penetration compositions and uses thereof TECHFIELDS PHARMA CO., LTD. (CN) 2018-01-23 US disclosed
US-20170209585-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO LTD (CN) 2017-07-27 US disclosed
US-20170209404-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF PREMIER RESEARCH INTERNATIONAL, LLC 2017-07-27 US disclosed
CN-101506161-B Positively charged water-soluble prodrugs of aryl and heteroaryl propionic acids with fast skin penetration rate YU CHONGXI 2013-11-13 CN disclosed
CN-101506161-A Positively charged water-soluble prodrugs of aryl and heteroaryl propionic acids with fast skin penetration rate CHONGXI YU (US) 2009-08-12 CN disclosed
EP-2054384-A1 POSITIVELY CHARGED WATER-SOLUBLE PRODRUGS OF ARYL- AND HETEROARYLPROPIONIC ACIDS WITH VERY FAST SKIN PENETRATION RATE Techfields Biochem Co. Ltd (CN) 2009-05-06 EP disclosed
WO-2008020270-A1 POSITIVELY CHARGED WATER-SOLUBLE PRODRUGS OF ARYL- AND HETEROARYLPROPIONIC ACIDS WITH VERY FAST SKIN PENETRATION RATE TECHFIELDS BIOCHEM CO. LTD (CN) 2008-02-21 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 (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-20170209404-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES PTGS2 7/4885PTGS1 4/4885POLB 2899/4885
US-20170209585-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES PTGS2 7/4885PTGS1 4/4885POLB 2899/4885
US-20230233516-A1 HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS SLC5A7, SLC19A1, SLC43A1 PTGS2 445/4885PTGS1 332/4885POLB 1046/4885

“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.