SCHEMBL5524703

SCHEMBL5524703

CC(S)(C(=O)O)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2C19 P33261 3/20 0.45
HIF1A Q16665 1/20 0.45
CYP1A2 P05177 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
CYP2D6 P10635 1/20 0.42
KCNN4 O15554 1/20 0.41
ALDH1A1 P00352 3/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL358275 1.00 MAPT (0.47) MAPTKMT2ACYP2C19HIF1ACYP1A2
SCHEMBL6829887 0.77 MAPT (0.50) MAPTKMT2ACYP2C19HIF1ACYP1A2
SCHEMBL3726386 0.73 CYP1A2 (0.54) MAPTKMT2ACYP2C19HIF1ACYP1A2
Acetic Acid SCHEMBL11528737 0.73 MAPT (0.50) MAPTKMT2ACYP2C19HIF1ACYP1A2
Ethane SCHEMBL14127500 0.73 CYP1A2 (0.48) MAPTKMT2ACYP2C19HIF1ACYP1A2
SCHEMBL112992 0.72 CYP1A2 (0.52) MAPTKMT2ACYP2C19HIF1ACYP1A2
SCHEMBL31276141 0.72 CYP1A2 (0.52) MAPTKMT2ACYP2C19HIF1ACYP1A2
SCHEMBL4592372 0.72 CYP1A2 (0.52) MAPTKMT2ACYP2C19HIF1ACYP1A2
SCHEMBL1560417 0.72 MAPT (0.54) MAPTKMT2ACYP2C19HIF1ACYP1A2
SCHEMBL73063 0.72 HDAC3 (0.61) MAPTKMT2ACYP2C19HIF1ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115477688-A Preparation method of eptifibatide 山西德元堂药业有限公司 2022-12-16 CN claimed
CN-118055782-A Gel compositions, systems, and methods 波士顿科学国际有限公司 2024-05-17 CN disclosed
CN-115477688-A Preparation method of eptifibatide 山西德元堂药业有限公司 2022-12-16 CN disclosed
CN-115477688-A Preparation method of eptifibatide 山西德元堂药业有限公司 2022-12-16 CN disclosed
CN-108383902-A Insulin analog dimer 印第安纳大学研究及科技有限公司 2018-08-10 CN disclosed
CN-104981251-B Insulin analog dimers 印第安纳大学研究及科技有限公司 2018-03-20 CN disclosed
CN-101980725-B Prodrug comprising a drug linker conjugate ASCENDIS PHARMA AS 2013-06-12 CN disclosed
CN-101980725-A Prodrug comprising a drug linker conjugate ASCENDIS PHARMA AS 2011-02-23 CN disclosed
US-20070275046-A1 Noval Surfactants and Applications Thereof TS PHARMA (FR) 2007-11-29 US disclosed
EP-1513538-A4 NOVEL METHODS FOR THE DELIVERY OF POLYNUCLEOTIDES TO CELLS MIRUS BIO CORP (US) 2007-08-22 EP disclosed
EP-1456225-A2 EXTENDED NATIVE CHEMICAL LIGATION OF THREE OR MORE PEPTIDE FRAGMENTS Geneprot, Inc. (CH) 2004-09-15 EP disclosed
WO-2003042235-A9 EXTENDED NATIVE CHEMICAL LIGATION OF THREE OR MORE PEPTIDE FRAGMENTS GENEPROT INC (CH) 2004-07-29 WO disclosed
EP-1392718-A2 IMPROVED NATIVE CHEMICAL LIGATION WITH THREE OR MORE COMPONENTS Geneprot, Inc. (CH) 2004-03-03 EP disclosed
US-20030235916-A1 Novel methods for the delivery of polynucleotides to cells ROCHE MADISON INC. 2003-12-25 US disclosed
WO-2003106636-A2 NOVEL METHODS FOR THE DELIVERY OF POLYNUCLEOTIDES TO CELLS MIRUS CORPORATION (US) 2003-12-24 WO disclosed
WO-2003042235-A2 EXTENDED NATIVE CHEMICAL LIGATION OF THREE OR MORE PEPTIDE FRAGMENTS GENEPROT, INC. (CH) 2003-05-22 WO disclosed
WO-2002098902-A2 IMPROVED NATIVE CHEMICAL LIGATION WITH THREE OR MORE COMPONENTS GENEPROT, INC. (CH) 2002-12-12 WO disclosed
EP-1025118-A1 SPACER PEPTIDES AND MEMBRANES CONTAINING SAME MERCK PATENT GmbH (DE) 2000-08-09 EP disclosed
WO-1999020649-A1 SPACER PEPTIDES AND MEMBRANES CONTAINING SAME MERCK PATENT GMBH (DE) 1999-04-29 WO disclosed
WO-1995020404-A1 TRIPLEX-FORMING PAIRED-ION OLIGONUCLEOTIDES AND METHODS FOR PREPARING AND USING SAME UNIVERSITY OF MEDICINE & DENTISTRY OF NEW JERSEY (US) 1995-08-03 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 (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-20070275046-A1 Noval Surfactants and Applications Thereof SGMS1, SGMS2, ANXA6 MAPT 1080/4885KMT2A 4733/4885CYP2C19 4851/4885

“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.