SCHEMBL2217561

SCHEMBL2217561

Cc1ccc(S(=O)(=O)OC(C)COCCOCCOCCO)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
DHODH Q02127 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.35
PLA2G2C Q5R387 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
PPARG P37231 1/20 0.34
GAA P10253 2/20 0.33
GBA1 P04062 1/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
MMP13 P45452 2/20 0.33
CA2 P00918 2/20 0.33
STAT3 P40763 1/20 0.33
ESR1 P03372 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
SCHEMBL14780291 0.86 CA9 (0.41) ALDH1A1DHODHMEN1KMT2APLA2G2C
SCHEMBL28492758 0.86 ALDH1A1 (0.41) ALDH1A1DHODHMEN1KMT2ARECQL
SCHEMBL5036313 0.84 ALDH1A1 (0.38) ALDH1A1DHODHMEN1KMT2ARECQL
SCHEMBL29789457 0.83 CA1 (0.42) ALDH1A1MEN1KMT2APOLBHPGD
SCHEMBL14590755 0.82 PLA2G2C (0.46) ALDH1A1SMN1; SMN2PLA2G2CKDM4EHPGD
SCHEMBL9318105 0.82 PLA2G2C (0.46) ALDH1A1SMN1; SMN2PLA2G2CKDM4EHPGD
SCHEMBL22609672 0.82 ALDH1A1 (0.37) ALDH1A1DHODHMEN1KMT2ARECQL
SCHEMBL16344580 0.81 ALDH1A1 (0.40) ALDH1A1DHODHMEN1KMT2AKDM4E
SCHEMBL30001425 0.81 ALDH1A1 (0.43) ALDH1A1DHODHMEN1KMT2ARECQL
SCHEMBL320439 0.81 ALDH1A1 (0.43) ALDH1A1DHODHMEN1KMT2ARECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1310533-B2 Ink composition containing a particular type of dye, and corresponding ink jet printing process AGFA GRAPHICS NV (BE) 2011-07-27 EP disclosed
EP-1486539-B1 Self-assembling dyes AGFA GRAPHICS NV (BE) 2009-08-26 EP disclosed
EP-1717283-B1 Ink composition containing a particular type of dye, and corresponding ink jet printing process. AGFA GRAPHICS NV (BE) 2008-07-16 EP disclosed
US-7355044-B2 Self-assembling dyes AGFA-GEVAERT N.V. (BE) 2008-04-08 US disclosed
EP-1310533-B1 Ink composition containing a particular type of dye, and corresponding ink jet printing process AGFA GEVAERT (BE) 2007-01-10 EP disclosed
EP-1717283-A1 Ink composition containing a particular type of dye, and corresponding ink jet printing process. Agfa-Gevaert (BE) 2006-11-02 EP disclosed
US-7025813-B2 Ink composition containing a particular type of dye, and corresponding ink-jet printing process AGFA-GEVAERT (BE) 2006-04-11 US disclosed
EP-1577356-A1 Ink composition containing a particular type of dye, and corresponding ink jet printing process. Agfa-Gevaert (BE) 2005-09-21 EP disclosed
US-20050051052-A1 Self-assembling dyes AGFA GRAPHICS NV (BE) 2005-03-10 US disclosed
EP-1486539-A2 Self-assembling dyes Agfa-Gevaert (BE) 2004-12-15 EP disclosed
US-20040206270-A1 Ink composition containing a particular type of dye, and corresponding ink-jet printing process AGFA GRAPHICS NV (BE) 2004-10-21 US disclosed
US-20030209166-A1 Ink composition containing a particular type of dye, and corresponding ink jet printing process AGFA-GEVAERT (BE) 2003-11-13 US disclosed
EP-1310533-A2 Ink composition containing a particular type of dye, and corresponding ink jet printing process Agfa-Gevaert (BE) 2003-05-14 EP 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-20030209166-A1 Ink composition containing a particular type of dye, and corresponding ink jet printing process SNU13, SAMM50, SNX1 ALDH1A1 2702/4885DHODH 3204/4885MEN1 3502/4885
US-20050051052-A1 Self-assembling dyes CRY1, IK, RB1 ALDH1A1 233/4885DHODH 910/4885MEN1 1149/4885

“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.