SCHEMBL3870495

SCHEMBL3870495

CCCCCCCC(OC(=O)O)c1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.45
NR1I2 O75469 1/20 0.44
MMP9 P14780 4/20 0.40
MMP13 P45452 3/20 0.40
ADAM17 P78536 3/20 0.40
MMP1 P03956 2/20 0.40
MMP2 P08253 2/20 0.39
MMP3 P08254 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CTRC Q99895 1/20 0.38
NAAA Q02083 2/20 0.38
CA2 P00918 1/20 0.36
MMP8 P22894 1/20 0.36
MMP12 P39900 1/20 0.36
MMP14 P50281 1/20 0.36
PTGER2 P43116 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
SCHEMBL1841905 0.83 ALDH1A1 (0.50) MMP9MMP1MMP2MMP3ALDH1A1
SCHEMBL1840792 0.83 ALDH1A1 (0.50) MMP9MMP1MMP2MMP3ALDH1A1
SCHEMBL1836595 0.83 ALDH1A1 (0.50) MMP9MMP1MMP2MMP3ALDH1A1
SCHEMBL11570170 0.82 FOLH1 (0.43) MMP9MMP13ALDH1A1MMP8
SCHEMBL11572453 0.82 FOLH1 (0.43) MMP9MMP13ALDH1A1MMP8
SCHEMBL11571263 0.82 FOLH1 (0.43) MMP9MMP13ALDH1A1MMP8
SCHEMBL1839952 0.81 ALDH1A1 (0.48) ALDH1A1NAAA
SCHEMBL11571505 0.80 FOLH1 (0.41) MMP9MMP13ALDH1A1MMP8
SCHEMBL10685197 0.80 MGLL (0.47) ALDH1A1
SCHEMBL21434978 0.80 MGLL (0.47) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1563048-B1 PROCESS OF REMOVING STAINS RECKITT BENCKISER NV (NL) 2008-05-07 EP claimed
US-7541324-B2 Bleach activator mixtures CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2009-06-02 US disclosed
US-20090130224-A1 Granular bleach-activating mixtures BORCHERS GEORG 2009-05-21 US disclosed
US-7504372-B2 Mixtures of bleaching agents CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2009-03-17 US disclosed
US-20080113036-A1 Bleach Activator Mixtures CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2008-05-15 US disclosed
US-20080105850-A1 Mixtures Of Bleaching Agents WEYLCHEM WIESBADEN GMBH (DE) 2008-05-08 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-20080113036-A1 Bleach Activator Mixtures HAAO, HAO2, APEH S1PR3 4392/4885NR1I2 1757/4885MMP9 1177/4885
US-20090130224-A1 Granular bleach-activating mixtures C9, DHX15, HAAO S1PR3 4608/4885NR1I2 3042/4885MMP9 3842/4885

“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.