SCHEMBL3868601

SCHEMBL3868601

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 2/20 0.39
POLB P06746 3/20 0.37
MEN1 O00255 1/20 0.37
KDM4A O75164 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 2/20 0.33
OPRD1 P41143 1/20 0.33
GAA P10253 1/20 0.33
NR4A1 P22736 1/20 0.33
RXRA P19793 3/20 0.33
RARB P10826 3/20 0.33
RARG P13631 3/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
ALOX15 P16050 2/20 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
SCHEMBL17838804 1.00 GNRHR (0.39) GNRHRPOLBMEN1KDM4AMAPT
SCHEMBL3867447 0.97 GNRHR (0.38) GNRHRPOLBMEN1KDM4AMAPT
SCHEMBL3877741 0.93 GNRHR (0.40) GNRHRPOLBMEN1KDM4AMAPT
SCHEMBL5268112 0.87 MAPT (0.41) GNRHRPOLBMEN1KDM4AMAPT
SCHEMBL3868705 0.84 KDM4E (0.36) GNRHRPOLBMEN1KDM4AMAPT
SCHEMBL2677869 0.83 MEN1 (0.36) GNRHRPOLBMEN1KDM4AMAPT
SCHEMBL28246187 0.83 RARB (0.45) POLBMEN1KDM4AMAPTTHRB
SCHEMBL15624033 0.83 MEN1 (0.36) GNRHRPOLBMEN1KDM4AMAPT
SCHEMBL29625553 0.83 RARB (0.45) POLBMEN1KDM4AMAPTTHRB
Iodide SCHEMBL515607 0.82 RARB (0.44) POLBMEN1KDM4AMAPTTHRB

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 GNRHR 1011/4885POLB 4370/4885MEN1 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.