SCHEMBL1077784

SCHEMBL1077784

C=CCOC(=O)[C@H](CC(=O)O)S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 14/20 0.36
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
RECQL P46063 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33

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
SCHEMBL87407 1.00 CASP1 (0.36) CASP1CYP3A4TDP1RECQLTSHR
SCHEMBL27766572 1.00 CASP1 (0.36) CASP1CYP3A4TDP1RECQLTSHR
Sulfuric Acid SCHEMBL9815941 0.98 CASP1 (0.35) CASP1CYP3A4TDP1RECQLTSHR
SCHEMBL6418321 0.98 CASP1 (0.35) CASP1CYP3A4TDP1RECQLTSHR
Ethylene SCHEMBL5962491 0.98 CASP1 (0.35) CASP1CYP3A4TDP1RECQLTSHR
Ammonia Solution, Strong SCHEMBL4503577 0.98 CASP1 (0.35) CASP1CYP3A4TDP1RECQLTSHR
SCHEMBL5457190 0.98 CASP1 (0.35) CASP1CYP3A4TDP1RECQLTSHR
SCHEMBL2937128 0.98 CASP1 (0.35) CASP1CYP3A4TDP1RECQLTSHR
SCHEMBL28432001 0.92 CASP1 (0.33) CASP1CYP3A4
Monoethanolamine SCHEMBL10816531 0.89 CASP1 (0.32) CASP1MAPTCACNA1BAPBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805288-B1 MILD ACYL ISETHIONATE TOILET BAR COMPOSITION UNILEVER PLC (GB) 2010-08-25 EP claimed
EP-2195405-A1 MILD ACYL ISETHIONATE TOILET BAR COMPOSITION Unilever PLC (GB) 2010-06-16 EP claimed
US-7737096-B2 Mild acyl isethionate toilet bar composition UNILEVER HOME & PERSONAL CARE USA DIVISION OF CONOPCO, INC. (US) 2010-06-15 US claimed
WO-2009043716-A1 MILD ACYL ISETHIONATE TOILET BAR COMPOSITION UNILEVER PLC (GB) 2009-04-09 WO claimed
US-20080058237-A1 Mild acyl isethionate toilet bar composition UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO 2008-03-06 US claimed
US-20070027050-A1 Liquid cleansing composition CONOPCO, INC., D/B/A UNILEVER 2007-02-01 US claimed
US-20060183662-A1 Liquid cleansing composition with unique sensory properties UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2006-08-17 US claimed
US-20060089279-A1 Mild acyl isethionate toilet bar composition UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2006-04-27 US claimed
WO-2022005839-A1 NATURAL NON-SULFATE RINSE-OFF CLEANSING COMPOSITIONS WITH HIGH OIL LOADING, AND METHODS OF USE L'OREAL (FR) 2022-01-06 WO disclosed
US-20210401716-A1 NATURAL NON-SULFATE RINSE-OFF CLEANSING COMPOSITIONS WITH HIGH OIL LOADING, AND METHODS OF USE L'OREAL (FR) 2021-12-30 US disclosed
EP-3886797-A1 THICK CLEANSING COMPOSITIONS L'OREAL (FR) 2021-10-06 EP disclosed
EP-3801450-A1 NON-SULFATE CONCENTRATED RINSE-OFF CLEANSING COMPOSITION L'Oreal (FR) 2021-04-14 EP disclosed
WO-2020112405-A1 THICK CLEANSING COMPOSITIONS L'OREAL (FR) 2020-06-04 WO disclosed
US-20200170894-A1 THICK CLEANSING COMPOSITIONS L'OREAL (FR) 2020-06-04 US disclosed
US-20070027050-A1 Liquid cleansing composition CONOPCO, INC., D/B/A UNILEVER 2007-02-01 US disclosed
US-20060225285-A1 Razor head with mild cleansing composition as a shaving aid UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2006-10-12 US disclosed
US-20060183662-A1 Liquid cleansing composition with unique sensory properties UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2006-08-17 US disclosed
US-20060135385-A1 Reduced odor toilet bar composition UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO., INC. 2006-06-22 US disclosed
US-20060089279-A1 Mild acyl isethionate toilet bar composition UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2006-04-27 US disclosed
US-7015179-B1 Reduced odor toilet bar composition UNILEVER HOME & PERSONAL CARE USA (US) 2006-03-21 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 (4 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-20200170894-A1 THICK CLEANSING COMPOSITIONS PHOSPHO1, SGMS2, SGMS1 CASP1 3790/4885CYP3A4 4442/4885TDP1 1554/4885
US-20060135385-A1 Reduced odor toilet bar composition OR51E2, MSH6, OR10J3 CASP1 4112/4885CYP3A4 1219/4885TDP1 4542/4885
US-20210401716-A1 NATURAL NON-SULFATE RINSE-OFF CLEANSING COMPOSITIONS WITH HIGH OIL LOADING, AND METHODS OF USE DEGS1, SGMS2, SGMS1 CASP1 4400/4885CYP3A4 4773/4885TDP1 2518/4885
US-20070027050-A1 Liquid cleansing composition CUTA, SPAST, DSG1 CASP1 3709/4885CYP3A4 3944/4885TDP1 2174/4885

“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.