SCHEMBL6742162

SCHEMBL6742162

COc1cccc(N)c1CCCS(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
ADRA2B P18089 1/20 0.41
PTGS1 P23219 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA12 O43570 3/20 0.36
CA14 Q9ULX7 3/20 0.36
KDM4E B2RXH2 3/20 0.35
CA9 Q16790 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
MCL1 Q07820 1/20 0.35
CA5A P35218 1/20 0.35
HPGD P15428 1/20 0.35
RCE1 Q9Y256 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
SCHEMBL6191884 0.83 ALDH1A1 (0.47) ALDH1A1ADRA2BPTGS1TDP1CA1
SCHEMBL12520412 0.78 CYP1A2 (0.49) ALDH1A1ADRA2BPTGS1TDP1KDM4E
SCHEMBL7693285 0.77 APP (0.43) ALDH1A1PTGS1CA2KDM4EMEN1
SCHEMBL4940219 0.77 CD44 (0.37) ALDH1A1TDP1CA1CA2CA12
SCHEMBL27484653 0.77 S1PR1 (0.38) ALDH1A1MCL1ELANECTSG
SCHEMBL9646614 0.76 ALDH1A1 (0.50) ALDH1A1ADRA2BPTGS1TDP1CA1
SCHEMBL1257433 0.76 ALDH1A1 (0.36) ALDH1A1TDP1CA1CA2CA12
SCHEMBL10962501 0.75 SLC22A12 (0.35) ALDH1A1TDP1MEN1LMNAMAPT
SCHEMBL5655874 0.75 CA12 (0.53) CA1CA2CA12CA14KDM4E
SCHEMBL5587038 0.74 HTR4 (0.36) ALDH1A1KDM4EMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109799127-A Dilute the analysis method of biological specimen ingredient 立佳有限公司 2019-05-24 CN disclosed
CN-109799126-A Dilute the analysis method of biological specimen ingredient 立佳有限公司 2019-05-24 CN disclosed
CN-109477837-A Method, composition and chip for detecting analyte in blood sample 泰尔茂株式会社 2019-03-15 CN disclosed
CN-107076728-A Analytical method for diluting biological sample components 立佳有限公司 2017-08-18 CN disclosed
US-20040247629-A1 Anhydrous cosmetic makeup composition containing a fatty phase and a cosmetic treatment process using the composition L'OREAL 2004-12-09 US disclosed
US-6572870-B2 Mixture containing oils, lipids and surfactants L'OREAL (FR) 2003-06-03 US disclosed
US-20010055601-A1 Anhydrous cosmetic makeup composition containing a fatty phase and a cosmetic treatment process using the composition L'OREAL 2001-12-27 US disclosed
US-6319508-B1 ANHYDROUS COSMETIC MAKEUP COMPOSITION FOR APPLICATION TO SKIN OR LIPS CONSISTING ESSENTIALLY OF MIXTURE OF FATTY PHASE AND PROVESICULAR LIPID PHASE ALSO CONTAINING AT LEAST ONE COSMETIC AND/OR DERMOPHARMACEUTICAL ACTIVE MATERIAL L'OREAL (FR) 2001-11-20 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-20010055601-A1 Anhydrous cosmetic makeup composition containing a fatty phase and a cosmetic treatment process using the composition FABP4, CUTA, LIPA ALDH1A1 948/4885ADRA2B 1824/4885PTGS1 2804/4885
US-20040247629-A1 Anhydrous cosmetic makeup composition containing a fatty phase and a cosmetic treatment process using the composition FABP4, CUTA, LIPA ALDH1A1 948/4885ADRA2B 1824/4885PTGS1 2804/4885

“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.