SCHEMBL3919002

SCHEMBL3919002

CCN(CCCS(=O)(=O)O)c1ccc2cc(C=O)c(=O)oc2c1.[Na]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.69
KMT2A Q03164 12/20 0.69
MAPT P10636 10/20 0.69
KDM4E B2RXH2 9/20 0.69
ALDH1A1 P00352 8/20 0.69
HPGD P15428 4/20 0.69
NPSR1 Q6W5P4 4/20 0.69
CYP19A1 P11511 3/20 0.49
L3MBTL1 Q9Y468 4/20 0.47
PKM P14618 2/20 0.47
MAPK1 P28482 2/20 0.47
ATM Q13315 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
USP2 O75604 4/20 0.47
HSD17B10 Q99714 4/20 0.47
MAOB P27338 3/20 0.47
ALOX15 P16050 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
SLC16A3 O15427 1/20 0.47

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
SCHEMBL1943038 0.99 MEN1 (0.71) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL3918990 0.98 MEN1 (0.69) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL3918992 0.88 MEN1 (0.69) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL61629 0.83 MEN1 (0.81) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL30195208 0.83 MEN1 (1.00) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL61603 0.83 MEN1 (1.00) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL23782005 0.82 MEN1 (0.97) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL1942640 0.81 MEN1 (0.69) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL31087879 0.81 MEN1 (0.76) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL8112401 0.81 MEN1 (0.76) MEN1KMT2AMAPTKDM4EALDH1A1

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-7563907-B2 Compounds based on polymethines DYOMICS GMBH (DE) 2009-07-21 US disclosed
US-20040260093-A1 Compound, especially marker-dye on the basis of polymethines DYOMICS GMBH (DE) 2004-12-23 US disclosed
US-20030165942-A1 Compound, especially marker-dye, on the basis of polymethines DYOMICS GMBH (DE) 2003-09-04 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-20030165942-A1 Compound, especially marker-dye, on the basis of polymethines MKI67, CYBA, IK MEN1 2072/4885KMT2A 3198/4885MAPT 1322/4885
US-20040260093-A1 Compound, especially marker-dye on the basis of polymethines MKI67, IK, CYBA MEN1 2360/4885KMT2A 3470/4885MAPT 1262/4885

“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.