SCHEMBL3868705

SCHEMBL3868705

CC1N(CCCS(=O)(=O)O)c2ccc(CC(=O)O)cc2C1(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 4/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 3/20 0.36
MEN1 O00255 1/20 0.36
KDM4A O75164 1/20 0.36
THRB P10828 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA5A P35218 1/20 0.34
SRD5A2 P31213 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC22A12 Q96S37 2/20 0.33
TSHR P16473 2/20 0.32
GNRHR P30968 1/20 0.32
CYP26A1 O43174 3/20 0.32
CYP26B1 Q9NR63 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
SCHEMBL3868776 0.97 KDM4E (0.35) KDM4EHPGDHSD17B10MAPTALDH1A1
SCHEMBL3873493 0.93 KDM4E (0.37) KDM4EHPGDHSD17B10MAPTALDH1A1
SCHEMBL3868601 0.84 GNRHR (0.39) KDM4EHSD17B10MAPTPOLBMEN1
SCHEMBL17838804 0.84 GNRHR (0.39) KDM4EHSD17B10MAPTPOLBMEN1
SCHEMBL15624033 0.81 MEN1 (0.36) MAPTPOLBMEN1KDM4ATHRB
SCHEMBL3867447 0.81 GNRHR (0.38) KDM4EHSD17B10MAPTPOLBMEN1
SCHEMBL5268112 0.79 MAPT (0.41) HPGDMAPTPOLBMEN1KDM4A
SCHEMBL4591369 0.78 DRD2 (0.38) HPGDHSD17B10MAPTALDH1A1POLB
SCHEMBL29738288 0.78 DRD2 (0.38) HPGDHSD17B10MAPTALDH1A1POLB
SCHEMBL6018477 0.78 MEN1 (0.35) MAPTALDH1A1POLBMEN1KDM4A

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 KDM4E 4501/4885HPGD 2359/4885HSD17B10 4210/4885

“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.