SCHEMBL1369159

SCHEMBL1369159

CC1Nc2ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2C1(C)C.[NaH].[NaH]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SUMO2 P61956 1/20 0.40
SUMO1 P63165 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP2 Q9HC62 1/20 0.40
ALDH1A1 P00352 3/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CASP6 P55212 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PRMT1 Q99873 1/20 0.33
NSD2 O96028 1/20 0.33
NT5E P21589 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL4296863 0.81 ALDH1A1 (0.42) SUMO2SUMO1SENP7SENP2ALDH1A1
SCHEMBL4296989 0.80 ALDH1A1 (0.42) SUMO2SUMO1SENP7SENP2ALDH1A1
SCHEMBL3433055 0.77 ALDH1A1 (0.39) ALDH1A1MAPK1CYP2C9CYP2C19CASP6
SCHEMBL1369157 0.72 MEN1 (0.43) SUMO2SUMO1SENP7SENP2ALDH1A1
SCHEMBL16361913 0.71 MEN1 (0.43) SUMO2SUMO1SENP7SENP2ALDH1A1
SCHEMBL304685 0.69 CA1 (0.38) ALDH1A1CASP6HSD17B10NT5EKDM4E
SCHEMBL304686 0.69 CA1 (0.38) ALDH1A1CASP6HSD17B10NT5EKDM4E
Potassium SCHEMBL4418575 0.68 CA1 (0.38) ALDH1A1CASP6HSD17B10NT5EKDM4E
SCHEMBL560834 0.68 CA1 (0.38) ALDH1A1CASP6HSD17B10NT5EKDM4E
SCHEMBL1368963 0.68 SUMO2 (0.40) SUMO2SUMO1SENP7SENP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916137-B2 Monofunctional carbocyanine dyes for in vivo and in vitro imaging THE GENERAL HOSPITAL CORPORATION (US) 2014-12-23 US disclosed
US-20110286933-A1 MONOFUNCTIONAL CARBOCYANINE DYES FOR IN VIVO AND IN VITRO IMAGING THE GENERAL HOSPITAL CORPORATION (US) 2011-11-24 US disclosed
WO-2010054330-A2 MONOFUNCTIONAL CARBOCYANINE DYES FOR IN VIVO AND IN VITRO IMAGING THE GENERAL HOSPITAL CORPORATION (US) 2010-05-14 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 (1 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-20110286933-A1 MONOFUNCTIONAL CARBOCYANINE DYES FOR IN VIVO AND IN VITRO IMAGING MKI67, HCCS, PYCR1 SUMO2 2724/4885SUMO1 1984/4885SENP7 2705/4885

“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.