Sugi Predict

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SCHEMBL3867779

SCHEMBL3867779

CC1=[N+](CCCCS(=O)(=O)O)c2ccc(C(=O)NCC(O)CO)cc2C1(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ACSS2 Q9NR19 3/20 0.34
▸ AKR1C3 P42330 2/20 0.33
▸ MAPK14 Q16539 6/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ICAM1 P05362 1/20 0.32
▸ SELE P16581 1/20 0.32
▸ ROCK2 O75116 1/20 0.31
▸ PRMT5 O14744 1/20 0.31
▸ ALK Q9UM73 1/20 0.31

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
SCHEMBL3869835 0.90 PTPN1 (0.32) PTPN1MEN1LMNAMAPTTHRB
SCHEMBL3867937 0.86 HPGD (0.38) KDM4EALDH1A1HPGDPTPN1MEN1
SCHEMBL3866685 0.82 SMYD3 (0.39) CA2
SCHEMBL3867446 0.81 TDP1 (0.39) PTPN1MEN1LMNAMAPTTHRB
SCHEMBL5268110 0.81 MEN1 (0.39) ALDH1A1PTPN1MEN1LMNAMAPT
SCHEMBL3868600 0.77 TDP1 (0.40) PTPN1MEN1LMNAMAPTTHRB
SCHEMBL12146331 0.76 MEN1 (0.56) KDM4EPTPN1MEN1LMNAMAPT
SCHEMBL10138057 0.74 MEN1 (0.41) PTPN1MEN1LMNAMAPTTHRB
SCHEMBL29726657 0.74 MEN1 (0.41) PTPN1MEN1LMNAMAPTTHRB
SCHEMBL3859355 0.74 MEN1 (0.41) PTPN1MEN1LMNAMAPTTHRB

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 4501/4885ALDH1A1 3758/4885HPGD 2359/4885

“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.