SCHEMBL4087629

SCHEMBL4087629

NCCCCC(NCC(O)CO)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.47
GSR P00390 1/20 0.43
RNPEP Q9H4A4 1/20 0.42
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
GGT1 P19440 1/20 0.39
CPB2 Q96IY4 10/20 0.39
SLC6A5 Q9Y345 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TLR2 O60603 1/20 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
SCHEMBL4100264 1.00 FOLH1 (0.47) FOLH1GSRRNPEPMMP2MMP9
Hydrochloric Acid SCHEMBL6010135 0.98 FOLH1 (0.46) FOLH1GSRRNPEPMMP2MMP9
Hydrochloric Acid SCHEMBL6010125 0.98 FOLH1 (0.46) FOLH1GSRRNPEPMMP2MMP9
SCHEMBL6010377 0.95 FOLH1 (0.41) FOLH1GSRRNPEPMMP2MMP9
SCHEMBL6010381 0.95 FOLH1 (0.41) FOLH1GSRRNPEPMMP2MMP9
SCHEMBL2117551 0.88 FOLH1 (0.49) FOLH1GSRRNPEPMMP2MMP9
SCHEMBL433656 0.88 FOLH1 (0.49) FOLH1GSRRNPEPMMP2MMP9
SCHEMBL30540130 0.88 FOLH1 (0.49) FOLH1GSRRNPEPMMP2MMP9
SCHEMBL433657 0.88 FOLH1 (0.49) FOLH1GSRRNPEPMMP2MMP9
SCHEMBL7198299 0.84 FOLH1 (0.54) FOLH1GSRRNPEPMMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203781-A1 N-N-Acyloxypropyl Lysine Methyl Ester-and N,N-Bis(N-Acyloxypropyl) Lysine Methyl Ester-Type Compounds and Use Thereof as Surface-Active Agents with an Antimicrobial Activity CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICSA (ES) 2009-08-13 US claimed
EP-1813600-A1 N-N-ACYLOXYPROPYL LYSINE METHYL ESTER- AND N,N-BIS(N- ACYLOXYPROPYL)LYSINE METHYL ESTER-TYPE COMPOUNDS AND USE THEREOF AS SURFACE-ACTIVE AGENTS WITH AN ANTIMICROBIAL ACTIVITY Consejo Superior de Investigaciones Cientificas (ES) 2007-08-01 EP claimed
CN-115845078-A Phase separation based tumor targeted drug delivery system 沃肽生物科技(山东)有限公司 2023-03-28 CN disclosed
CN-105264072-A Aptamers to IL-17 and uses thereof NAT UNIV CORP UNIV TOKYO 2016-01-20 CN disclosed
US-20090203781-A1 N-N-Acyloxypropyl Lysine Methyl Ester-and N,N-Bis(N-Acyloxypropyl) Lysine Methyl Ester-Type Compounds and Use Thereof as Surface-Active Agents with an Antimicrobial Activity CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICSA (ES) 2009-08-13 US disclosed
EP-1813600-A1 N-N-ACYLOXYPROPYL LYSINE METHYL ESTER- AND N,N-BIS(N- ACYLOXYPROPYL)LYSINE METHYL ESTER-TYPE COMPOUNDS AND USE THEREOF AS SURFACE-ACTIVE AGENTS WITH AN ANTIMICROBIAL ACTIVITY Consejo Superior de Investigaciones Cientificas (ES) 2007-08-01 EP disclosed
US-20060018864-A1 Cosmetic preparation containing glycerylamino acid derivative SEIWA KASEI COMPANY, LIMITED (JP) 2006-01-26 US disclosed
EP-1584320-A1 COSMETIC PREPARATION CONTAINING GLYCERYLAMINO ACID DERIVATIVE Seiwa Kasei Company, Limited (JP) 2005-10-12 EP disclosed
EP-0022317-B1 2-OXO-BENZOTHIAZOLINE, BENZOXAZOLINE OR INDOLINE DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS COMPRISING SUCH DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-09-21 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 (2 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-20060018864-A1 Cosmetic preparation containing glycerylamino acid derivative GLA, GPKOW, CUTA FOLH1 1267/4885GSR 809/4885RNPEP 2950/4885
US-20090203781-A1 N-N-Acyloxypropyl Lysine Methyl Ester-and N,N-Bis(N-Acyloxypropyl) Lysine Methyl Ester-Type Compounds and Use Thereof as Surface-Active Agents with an Antimicrobial Activity APEH, CUTA, NAAA FOLH1 3307/4885GSR 4489/4885RNPEP 454/4885

“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.