SCHEMBL188589

SCHEMBL188589

N=C(N)NCCCC(NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 5/20 0.52
PADI1 Q9ULC6 5/20 0.51
PADI4 Q9UM07 5/20 0.51
PADI2 Q9Y2J8 4/20 0.51
PDE4A P27815 3/20 0.51
PADI3 Q9ULW8 3/20 0.51
PDE4B Q07343 2/20 0.51
PDE4C Q08493 2/20 0.51
PDE4D Q08499 2/20 0.51
PADI6 Q6TGC4 1/20 0.51
FOLH1 Q04609 2/20 0.47
CA2 P00918 4/20 0.47
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
ALB P02768 1/20 0.45
CA1 P00915 1/20 0.45

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
SCHEMBL7925397 1.00 C3AR1 (0.52) C3AR1PADI1PADI4PADI2PDE4A
SCHEMBL188590 1.00 C3AR1 (0.52) C3AR1PADI1PADI4PADI2PDE4A
Naphthalene SCHEMBL28216957 0.96 C3AR1 (0.49) C3AR1PADI1PADI4PADI2PDE4A
Alcohol SCHEMBL2258594 0.95 CA2 (0.49) C3AR1PADI1PADI4PADI2PDE4A
Alcohol SCHEMBL29029781 0.95 CA2 (0.49) C3AR1PADI1PADI4PADI2PDE4A
Propane SCHEMBL25417180 0.94 CA2 (0.48) C3AR1PADI1PADI4PADI2PDE4A
Butane SCHEMBL25420420 0.93 CA2 (0.50) C3AR1PADI1PADI4PADI2PDE4A
SCHEMBL10946109 0.92 PADI1 (0.60) C3AR1PADI1PADI4PADI2PDE4A
SCHEMBL158990 0.92 PADI1 (0.60) C3AR1PADI1PADI4PADI2PDE4A
Ether SCHEMBL9150674 0.92 C3AR1 (0.48) C3AR1PADI1PADI4PADI2PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119096144-A Rapid diagnostic test for antibiotic resistance and methods of use and preparation thereof 拜奥普诊断公司 2024-12-06 CN claimed
CN-111432662-B Pea protein hydrolysate 嘉吉公司 2024-03-19 CN claimed
WO-2024007629-A1 POLYSACCHARIDE TRYPSIN INHIBITOR AND PREPARATION METHOD THEREFOR 山东省分析测试中心 2024-01-11 WO claimed
CN-115068620-A Pharmaceutical composition capable of reducing generation of arylamine impurities 天津睿创康泰生物技术有限公司 2022-09-20 CN claimed
CN-114196730-A Method and kit for detecting activity of cysteine protease inhibitor in Chinese tulip tree nectar 南京林业大学 2022-03-18 CN claimed
EP-2402037-B1 CONTROLLED RELEASE OF PHENOLIC OPIOIDS SIGNATURE THERAPEUTICS INC (US) 2019-10-23 EP claimed
EP-3219335-B1 COATING COMPOSITION AND MEDICAL DEVICE TERUMO CORP (JP) 2018-12-19 EP claimed
EP-2813250-B1 COATING COMPOSITION AND MEDICAL DEVICE TERUMO CORP (JP) 2017-05-03 EP claimed
US-20150148284-A1 Controlled Release of Phenolic Opioids PHARMACOFORE, INC. 2015-05-28 US claimed
EP-2069522-B1 ENZYME CONTAINING LIQUID AND DELIVERY SYSTEM FOR DETECTION OF ANALYTES ON SURFACES AGENTASE LLC (US) 2015-05-27 EP claimed
WO-2007140272-A2 CONTROLLED RELEASE OF PHENOLIC OPIOIDS PHARMACOFORE, INC. (US) 2007-12-06 WO claimed
US-20040062773-A1 Compositions for the delivery of antigens EMISPHERE TECHNOLOGIES INC. 2004-04-01 US claimed
EP-0784469-B1 COMPOSITIONS FOR THE DELIVERY OF ANTIGENS EMISPHERE TECH INC (US) 2004-03-24 EP claimed
US-6610329-B2 Using acylated amino acid as carrier EMISPHERE TECHNOLOGIES INC. 2003-08-26 US claimed
US-20020001591-A1 Compositions for the delivery of antigens EMISPHERE TECHNOLOGIES, INC. 2002-01-03 US claimed
US-5958457-A MIXTURES OF ANTIGENS WITH ADJUVANTS AND ACYLATED AMINO ACIDS OR SALTS, POLYMERS OR SULFONATED AMINO ACIDS EMISPHERE TECHNOLOGIES, INC. (US) 1999-09-28 US claimed
EP-0784469-A4 COMPOSITIONS FOR THE DELIVERY OF ANTIGENS EMISPHERE TECH INC (US) 1999-03-24 EP claimed
EP-0784469-A1 COMPOSITIONS FOR THE DELIVERY OF ANTIGENS Emisphere Technologies, Inc. (US) 1997-07-23 EP claimed
WO-1996012474-A1 COMPOSITIONS FOR THE DELIVERY OF ANTIGENS EMISPHERE TECHNOLOGIES, INC. (US) 1996-05-02 WO claimed
US-5284872-A Nitrato alkanoic acid derivatives, methods for their production, pharmaceutical compositions containing the derivatives and medicinal uses thereof SCHWARZ PHARMA AG (DE) 1994-02-08 US claimed

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-20020001591-A1 Compositions for the delivery of antigens CD47, CD74, LY96 C3AR1 249/4885PADI1 3359/4885PADI4 2580/4885
US-20040062773-A1 Compositions for the delivery of antigens CD47, CD74, LY96 C3AR1 249/4885PADI1 3359/4885PADI4 2580/4885
US-20150148284-A1 Controlled Release of Phenolic Opioids OPRK1, OPRM1, OPRD1 C3AR1 1966/4885PADI1 1751/4885PADI4 1513/4885

“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.