SCHEMBL2844095

SCHEMBL2844095

C[N+](C)(CCCN)CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BBOX1 O75936 6/20 0.45
TSHR P16473 2/20 0.44
LMNA P02545 3/20 0.42
THRB P10828 2/20 0.42
BLM P54132 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GABRR3 A8MPY1 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
HDAC3 O15379 1/20 0.42
GABBR2 O75899 1/20 0.42
CYP1A2 P05177 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRR1 P24046 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRR2 P28476 1/20 0.42

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
SCHEMBL5456712 0.98 BBOX1 (0.44) BBOX1TSHRLMNATHRBBLM
SCHEMBL25408982 0.86 TSHR (0.48) BBOX1TSHRLMNATHRBBLM
SCHEMBL9973818 0.85 TSHR (0.52) BBOX1TSHRLMNAALDH1A1APEX1
SCHEMBL14075503 0.83 TSHR (0.50) BBOX1TSHRLMNAKMT2AALDH1A1
SCHEMBL18407855 0.80 BBOX1 (0.59) BBOX1TSHRLMNATHRBBLM
SCHEMBL13922325 0.79 DNM1 (0.48) BBOX1TSHRLMNAKMT2AALDH1A1
SCHEMBL9242040 0.79 TSHR (0.46) BBOX1TSHRLMNAALDH1A1APEX1
SCHEMBL14075508 0.77 MEN1 (0.50) BBOX1TSHRLMNAKMT2ANPSR1
Hydrochloric Acid SCHEMBL6427071 0.77 ALDH1A1 (0.48) BBOX1TSHRLMNAALDH1A1APEX1
SCHEMBL8773947 0.76 HTT (0.58) TSHRKMT2AALDH1A1HDAC11MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0756633-B1 METHOD AND KITS FOR PROCESSING MYCOBACTERIA AND MYCOLIC ACID CONTAINING BACTERIA INTEGRATED RES TECHNOLOGY LLC (US) 2005-06-08 EP claimed
EP-3728536-A1 CLEANING AGENT CONTAINING AMYLASE WHICH IS STABILIZED USING BETAINE Henkel AG & Co. KGaA (DE) 2020-10-28 EP disclosed
US-9540389-B2 Antimicrobial potentiators MICROBIOTIX, INC. (US) 2017-01-10 US disclosed
US-20160075714-A1 Antimicrobial Potentiators MICROBIOTIX, INC. (US) 2016-03-17 US disclosed
WO-2013052263-A2 ANTIFUNGAL COMPOUNDS MICROBIOTIX, INC. (US) 2013-04-11 WO disclosed
WO-2013040526-A1 ANTIMICROBIAL COMPOUNDS MICROBIOTIX, INC. (US) 2013-03-21 WO disclosed
WO-2013040528-A1 ANTIMICROBIAL COMPOUNDS MICROBIOTIX, INC. (US) 2013-03-21 WO disclosed
WO-2013040527-A1 ANTIMICROBIAL COMPOUNDS MICROBIOTIX, INC. (US) 2013-03-21 WO disclosed
WO-2010056914-A1 BACTERIAL HELICASE INHIBITOR COMPOUNDS AND USES THEREOF MICROBIOTIX, INC. (US) 2010-05-20 WO disclosed
US-7534816-B2 Amidobetaines for oral care applications GALAXY SURFACTANTS LIMITED (IN) 2009-05-19 US disclosed
EP-1406494-B1 BACTERICIDAL COMPOSITION COMPRISING POLYLYSIN AND PLANT NATURAL OILS KAO CORP (JP) 2008-05-14 EP disclosed
US-20070004801-A1 Amidobetaines for oral care applications GALAXY SURFACTANTS LIMITED (IN) 2007-01-04 US disclosed
US-6921745-B2 Bactericidal composition comprising polylysine and a plant essential oil KAO CORPORATION (JP) 2005-07-26 US disclosed
US-20040132630-A1 Bactericide comoposition KAO CORPORATION (JP) 2004-07-08 US disclosed
US-6004771-A EXTRACTED MYCOBACTERIAL SAMPLE IS SUITABLE FOR DETECTION BY CULTURE AND AMPLIFICATION INTEGRATED RESEARCH TECHNOLOGY, LLC (US) 1999-12-21 US disclosed
US-5658749-A DECREASING THE BUOYANCY OF MICROORGANISMS CONTAINING MYCOLIC ACID-LIKE STRUCTURES IN THE OUTER MEMBRANE USING A SOLUTION OF AN SB-18-LIKE OR ROD-LIKE DETERGENT; AMPHOTERIC SURFACTANTS; MEDICAL DIAGNOSIS; CULTURES; AMPLIFICATION CORNING CLINICAL LABORATORIES, INC. (US) 1997-08-19 US 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-20070004801-A1 Amidobetaines for oral care applications ABHD6, FFAR1, SLC6A12 BBOX1 517/4885TSHR 2607/4885LMNA 1324/4885
US-20160075714-A1 Antimicrobial Potentiators NR1H2, ABCC5, NR1H3 BBOX1 1437/4885TSHR 1251/4885LMNA 4674/4885

“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.