SCHEMBL2065617

SCHEMBL2065617

CC1=[N+](CCCCS(=O)(=O)O)c2ccc(CC(=O)O)cc2C1(C)CCCCS(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.33
CYP26A1 O43174 3/20 0.32
PTPN1 P18031 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP26B1 Q9NR63 1/20 0.31
GAA P10253 2/20 0.31
SLC22A12 Q96S37 1/20 0.30
RGS12 O14924 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
TSHR P16473 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
SCHEMBL3868774 0.88 MAPT (0.38) CA5ACYP26A1PTPN1RXRARXRB
SCHEMBL3868703 0.84 MAPT (0.39) CA5ACYP26A1PTPN1RXRARXRB
SCHEMBL14451061 0.82 PTPN1 (0.31) PTPN1
SCHEMBL8116380 0.82 PTPN1 (0.33) PTPN1
SCHEMBL12952231 0.82 ADRB2 (0.32) PTPN1ALDH1A1CYP26B1
SCHEMBL857034 0.81 PTPN1 (0.33) PTPN1LMNATDP1
SCHEMBL2065361 0.81 ALDH1A1 (0.31) PTPN1ALDH1A1CYP26B1
SCHEMBL1080138 0.81 PTPN1 (0.33) PTPN1
SCHEMBL7606803 0.80 KMT2A (0.35) KDM4EMAPTMEN1ALDH1A1KMT2A
SCHEMBL3873489 0.80 MAPT (0.40) CA5ACYP26A1RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148539-B2 Cyanine dye labelling reagents GE HEALTHCARE UK LIMITED (GB) 2012-04-03 US disclosed
US-8148539-B2 Cyanine dye labelling reagents GE HEALTHCARE UK LIMITED (GB) 2012-04-03 US disclosed
US-8148539-B2 Cyanine dye labelling reagents GE HEALTHCARE UK LIMITED (GB) 2012-04-03 US disclosed
EP-1678258-B1 CYANINE DYE LABELLING REAGENTS GE HEALTHCARE LTD (GB) 2011-08-31 EP disclosed
EP-2360211-A1 Fluorescently-labelled target components GE Healthcare Limited (GB) 2011-08-24 EP disclosed
US-20100267937-A1 Cyanine Dye Labelling Reagents WEST RICHARD M 2010-10-21 US disclosed
US-20100267937-A1 Cyanine Dye Labelling Reagents WEST RICHARD M 2010-10-21 US disclosed
US-20100267937-A1 Cyanine Dye Labelling Reagents WEST RICHARD M 2010-10-21 US disclosed
US-7750163-B2 Cyanine dye labelling reagents GE Healthcare U.K. Limited (GB) 2010-07-06 US disclosed
US-7750163-B2 Cyanine dye labelling reagents GE Healthcare U.K. Limited (GB) 2010-07-06 US disclosed
US-7750163-B2 Cyanine dye labelling reagents GE Healthcare U.K. Limited (GB) 2010-07-06 US disclosed
US-20070203343-A1 Cyanine Dye Labelling Reagents GE HEALTHCARE UK LIMITED (GB) 2007-08-30 US disclosed
US-20070203343-A1 Cyanine Dye Labelling Reagents GE HEALTHCARE UK LIMITED (GB) 2007-08-30 US disclosed
US-20070203343-A1 Cyanine Dye Labelling Reagents GE HEALTHCARE UK LIMITED (GB) 2007-08-30 US disclosed
EP-1678258-A1 CYANINE DYE LABELLING REAGENTS GE Healthcare Limited (GB) 2006-07-12 EP disclosed
WO-2005044923-A1 CYANINE DYE LABELLING REAGENTS GE HEALTHCARE LIMITED (GB) 2005-05-19 WO 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-20070203343-A1 Cyanine Dye Labelling Reagents IK, H1-5, H1-3 CA5A 3515/4885CYP26A1 4218/4885PTPN1 3323/4885
US-20100267937-A1 Cyanine Dye Labelling Reagents IK, H1-5, H1-3 CA5A 3441/4885CYP26A1 4289/4885PTPN1 3312/4885

“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.