SCHEMBL3868600

SCHEMBL3868600

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
PTPN1 P18031 1/20 0.34
RARA P10276 7/20 0.33
CYP26A1 O43174 3/20 0.33
CYP3A4 P08684 1/20 0.33
RXRA P19793 8/20 0.32
RXRB P28702 6/20 0.32
RXRG P48443 5/20 0.32
RARB P10826 7/20 0.32
RARG P13631 7/20 0.32
CYP26B1 Q9NR63 1/20 0.32
CDC25B P30305 1/20 0.32
NPC1 O15118 1/20 0.30

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
SCHEMBL3867446 0.96 TDP1 (0.39) TDP1MEN1LMNAMAPTTHRB
SCHEMBL3877735 0.93 TDP1 (0.42) TDP1MEN1LMNAMAPTTHRB
SCHEMBL136801 0.89 MAPT (0.39) TDP1MEN1LMNAMAPTTHRB
SCHEMBL5268110 0.87 MEN1 (0.39) TDP1MEN1LMNAMAPTTHRB
SCHEMBL12160878 0.86 MEN1 (0.46) TDP1MEN1LMNAMAPTTHRB
SCHEMBL4640722 0.86 MAPT (0.39) TDP1MEN1LMNAMAPTTHRB
Iodide SCHEMBL2587637 0.85 MEN1 (0.48) TDP1MEN1LMNAMAPTTHRB
SCHEMBL22664031 0.85 MEN1 (0.45) TDP1MEN1LMNAMAPTTHRB
SCHEMBL3868703 0.83 MAPT (0.39) TDP1MEN1LMNAMAPTTHRB
SCHEMBL29271029 0.83 THRB (0.44) TDP1MEN1LMNAMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11624089-B2 Cyanine dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2023-04-11 US disclosed
US-20200232023-A1 CYANINE DYES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2020-07-23 US disclosed
US-10392659-B2 Cyanine dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2019-08-27 US disclosed
US-20170183501-A1 Cyanine Dyes PACIFIC BIOSCIENCES OF CALIFORNIA, INC. 2017-06-29 US disclosed
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 (4 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-10392659-B2 Cyanine dyes ABCG2, IK, ACR TDP1 2918/4885MEN1 2288/4885LMNA 1823/4885
US-11624089-B2 Cyanine dyes ABCG2, IK, ACR TDP1 2918/4885MEN1 2288/4885LMNA 1823/4885
US-20060036072-A1 Short-warp peptide dye conjugate as contrast agent for optical diagnostic VIP, VASP, IAPP TDP1 4713/4885MEN1 136/4885LMNA 3818/4885
US-20200232023-A1 CYANINE DYES ABCG2, IK, ACR TDP1 2918/4885MEN1 2288/4885LMNA 1823/4885

“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.