SCHEMBL175626

SCHEMBL175626

C=CCOC(=O)CNC(CN)(CC(=O)O)CC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
MAPT P10636 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
CYP3A4 P08684 1/20 0.33
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CASP1 P29466 1/20 0.32
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL1766196 0.78 KDM4E (0.32) KDM4E
SCHEMBL10694560 0.77 KDM4E (0.35) KDM4E
SCHEMBL94667 0.76 KDM4E (0.43) TSHRALDH1A1KDM4E
Ammonia Solution, Strong SCHEMBL5722441 0.74 KDM4E (0.41) TSHRALDH1A1KDM4E
SCHEMBL3628355 0.72 NAAA (0.46) NPSR1
SCHEMBL253364 0.71 TSHR (0.43) TSHRMAPTCACNA1BAPBA1CYP3A4
SCHEMBL2053578 0.70 TSHR (0.43) TSHRMAPTCACNA1BAPBA1CYP3A4
SCHEMBL2780857 0.70 TSHR (0.40) TSHRMAPTCACNA1BAPBA1CYP3A4
SCHEMBL15732714 0.70 TSHR (0.42) TSHRMAPTCACNA1BAPBA1CYP3A4
SCHEMBL1162364 0.70 TSHR (0.42) TSHRMAPTCACNA1BAPBA1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2664665-B1 Ophthalmic compositions with biguanide and PEG-glycerol esters BAUSCH & LOMB (US) 2017-11-08 EP disclosed
EP-2948196-B1 POLY(NITROGEN/AMINE) DERIVATIVES OF A NATURAL WAX OR AN ALKOXYLATED DERIVATIVE THEREOF AND OPHTHALMIC COMPOSITIONS BAUSCH & LOMB (US) 2017-08-23 EP disclosed
EP-2816996-B1 OPHTHALMIC COMPOSITIONS WITH ALKOXYLATED NATURAL WAXES BAUSCH & LOMB (US) 2016-10-05 EP disclosed
US-9435073-B2 Electrochemical textile-washing process BASF SE (DE) 2016-09-06 US disclosed
US-9375401-B2 Ophthalmic compositions with alkoxylated natural waxes Bausch ÷ Lomb Incorporated (US) 2016-06-28 US disclosed
US-9279095-B2 Poly(nitrogen/amine) derivatives of a natural wax and ophthalmic compositions BAUSCH & LOMB INCORPORATED (US) 2016-03-08 US disclosed
EP-2948196-A1 POLY(NITROGEN/AMINE) DERIVATIVES OF A NATURAL WAX AND OPHTHALMIC COMPOSITIONS Bausch & Lomb Incorporated (US) 2015-12-02 EP disclosed
US-20150297511-A1 OPHTHALMIC COMPOSITIONS WITH ALKOXYLATED NATURAL WAXES SALIX PHARMACEUTICALS, LTD. 2015-10-22 US disclosed
US-9125405-B2 Contact lens solution with a tertiary amine oxide BAUSCH & LOMB INCORPORATED (US) 2015-09-08 US disclosed
US-9096819-B2 Ophthalmic compositions with an amphoteric surfactant and an anionic biopolymer BAUSCH & LOMB INCORPORATED (US) 2015-08-04 US disclosed
US-20090196845-A1 OPTHALMIC COMPOSITIONS WITH AN AMPHOTERIC SURFACTANT AND AN ANIONIC BIOPOLYMER SALIX PHARMACEUTICALS, LTD. 2009-08-06 US disclosed
US-20090196846-A1 OPHTHALMIC COMPOSITIONS WITH AN AMPHOTERIC SURFACTANT AND HYALURONIC ACID BAUSCH HEALTH AMERICAS, INC. 2009-08-06 US disclosed
WO-2009097028-A1 OPHTHALMIC COMPOSITIONS WITH AN AMPHOTERIC SURFACTANT AND HYALURONIC ACID BAUSCH & LOMB INCORPORATED (US) 2009-08-06 WO disclosed
WO-2009032433-A1 OPHTHALMIC COMPOSITIONS COMPRISING A CARBOXYL-MODIFIED FRUCTAN OR A SALT THEREOF BAUSCH & LOMB INCORPORATED (US) 2009-03-12 WO disclosed
US-20090036404-A1 OPHTHALMIC COMPOSITIONS COMPRISING A CARBOXYL-MODIFIED FRUCTAN OR A SALT THEREOF ISTA PHARMACEUTICALS 2009-02-05 US disclosed
US-20080311070-A1 OPHTHALMIC COMPOSITION WITH HYALURONIC ACID BAUSCH & LOMB INCORPORATED 2008-12-18 US disclosed
US-20080312182-A1 OPHTHALMIC COMPOSITION WITH HYALURONIC ACID AND POLYMERIC BIGUANIDE BAUSCH HEALTH US, LLC 2008-12-18 US disclosed
US-20080167215-A1 Esterified Alkylalkoxylates Used as Low-Foam Surfactants BASF AKTIENGESELLSCHAFT (DE) 2008-07-10 US disclosed
US-7074749-B2 Oxoalcohol-based detergent BASF AKTIENGESELLSCHAFT (DE) 2006-07-11 US disclosed
US-20040009889-A1 Detergents and cleaners comprising nonionic and/or cationic surfactants based on oxo alcohols BASF AKTIENGESELLSCHAFT (DE) 2004-01-15 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 (7 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-20080312182-A1 OPHTHALMIC COMPOSITION WITH HYALURONIC ACID AND POLYMERIC BIGUANIDE PDE6C, PDE6H, CD44 TSHR 1440/4885MAPT 2979/4885CACNA1B 3041/4885
US-20080311070-A1 OPHTHALMIC COMPOSITION WITH HYALURONIC ACID UACA, GLMN, HBG1 TSHR 919/4885MAPT 3486/4885CACNA1B 1310/4885
US-20080167215-A1 Esterified Alkylalkoxylates Used as Low-Foam Surfactants MGLL, MSR1, LIPA TSHR 1471/4885MAPT 4696/4885CACNA1B 4057/4885
US-20090196845-A1 OPTHALMIC COMPOSITIONS WITH AN AMPHOTERIC SURFACTANT AND AN ANIONIC BIOPOLYMER H1-0, H1-2, H1-3 TSHR 289/4885MAPT 4618/4885CACNA1B 2521/4885
US-20090196846-A1 OPHTHALMIC COMPOSITIONS WITH AN AMPHOTERIC SURFACTANT AND HYALURONIC ACID H1-0, H1-2, H1-3 TSHR 261/4885MAPT 4785/4885CACNA1B 2720/4885
US-20090036404-A1 OPHTHALMIC COMPOSITIONS COMPRISING A CARBOXYL-MODIFIED FRUCTAN OR A SALT THEREOF CRYZ, ACMSD, UACA TSHR 3630/4885MAPT 1264/4885CACNA1B 1815/4885
US-20150297511-A1 OPHTHALMIC COMPOSITIONS WITH ALKOXYLATED NATURAL WAXES ALOX15B, ALOX5, DAGLB TSHR 3556/4885MAPT 4301/4885CACNA1B 1533/4885

“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.