SCHEMBL3873489

SCHEMBL3873489

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
CA5A P35218 1/20 0.37
CYP26A1 O43174 5/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
GAA P10253 5/20 0.34
KDM4E B2RXH2 4/20 0.34
HPGD P15428 4/20 0.34
HSD17B10 Q99714 4/20 0.34
TSHR P16473 3/20 0.34
NFKB1 P19838 2/20 0.34
RGS12 O14924 1/20 0.34

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
SCHEMBL3868703 0.93 MAPT (0.39) MAPTTDP1MEN1KMT2ALMNA
SCHEMBL3868774 0.92 MAPT (0.38) MAPTTDP1MEN1KMT2ALMNA
SCHEMBL14703656 0.84 MAPT (0.44) MAPTTDP1MEN1KMT2ALMNA
SCHEMBL12936184 0.83 MAPT (0.58) MAPTTDP1MEN1KMT2ALMNA
SCHEMBL3877735 0.82 TDP1 (0.42) MAPTTDP1MEN1KMT2ALMNA
SCHEMBL12791985 0.82 MEN1 (0.60) MAPTTDP1MEN1KMT2ALMNA
SCHEMBL2065617 0.80 CA5A (0.33) MAPTTDP1MEN1KMT2ALMNA
SCHEMBL12267581 0.80 MEN1 (0.43) MAPTTDP1MEN1KMT2ALMNA
SCHEMBL12786509 0.78 MAPT (0.40) MAPTTDP1MEN1KMT2ALMNA
SCHEMBL13474928 0.78 KDM4E (0.40) MAPTTDP1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1281405-B1 Short-chained peptide-dye conjugates as contrast agents for optical diagnosis DIAGNOSTIKFORSCHUNG INST (DE) 2009-01-21 EP disclosed
US-7175953-B2 Short-warp peptide-dye conjugate as contrast agent for optical diagnostic INSTITUTE FUER DIAGNOSTIK FORSCHUNG (DE) 2007-02-13 US disclosed
US-20060036072-A1 Short-warp peptide dye conjugate as contrast agent for optical diagnostic INSTITUT FUR DIAGNOSTIKFORSCHUNG GMBH (DE) 2006-02-16 US disclosed
EP-1176987-B1 SHORT-CHAIN PEPTIDE DYE CONJUGATES USED AS CONTRAST AGENTS FOR OPTICAL DIAGNOSTICS DIAGNOSTIKFORSCHUNG INST (DE) 2004-02-11 EP disclosed
US-6630570-B1 Of tumor cells and tissues; derived from vaso-active intestinal protein, somatostatin or neurotensin; methine/cyanine; useful for endoscopy Insitut für Diagnostikforschung GmbH (DE) 2003-10-07 US disclosed
EP-1281405-A2 Short-chained peptide-dye conjugates as contrast agents for optical diagnosis INSTITUT FÜR DIAGNOSTIKFORSCHUNG GmbH AN DER FREIEN UNIVERSITÄT BERLIN (DE) 2003-02-05 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 (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-20060036072-A1 Short-warp peptide dye conjugate as contrast agent for optical diagnostic VIP, VASP, IAPP MAPT 1084/4885TDP1 4713/4885MEN1 136/4885

“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.