SCHEMBL1369157

SCHEMBL1369157

CC1=Nc2ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2C1(C)C.[NaH].[NaH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SUMO2 P61956 1/20 0.42
SUMO1 P63165 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP2 Q9HC62 1/20 0.42
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.38
CASP6 P55212 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NSD2 O96028 1/20 0.34
PRMT1 Q99873 1/20 0.34
NT5E P21589 2/20 0.33
CYP1A2 P05177 2/20 0.33
SNCA P37840 1/20 0.33
ENPP2 Q13822 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL16361913 0.99 MEN1 (0.43) MEN1KMT2ASUMO2SUMO1SENP7
SCHEMBL18293533 0.86 MEN1 (0.43) MEN1KMT2AALDH1A1MAPK1CASP6
SCHEMBL135180 0.82 MEN1 (0.36) MEN1KMT2A
SCHEMBL9815014 0.82 MEN1 (0.55) MEN1KMT2ASUMO2SUMO1SENP7
SCHEMBL12146309 0.81 MEN1 (0.54) MEN1KMT2AALDH1A1SNCAKDM4E
SCHEMBL1369158 0.81 DUSP5 (0.42) MEN1KMT2AALDH1A1MAPK1HSD17B10
SCHEMBL4296859 0.80 MEN1 (0.56) MEN1KMT2ASUMO2SUMO1SENP7
SCHEMBL28948590 0.79 MEN1 (0.55) MEN1KMT2ASUMO2SUMO1SENP7
SCHEMBL136734 0.79 MEN1 (0.44) MEN1KMT2ASUMO2SUMO1SENP7
SCHEMBL14695213 0.78 MEN1 (0.43) MEN1KMT2AALDH1A1CASP6CYP2C9

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 MEN1 448/4885KMT2A 2709/4885SUMO2 2724/4885

“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.