Sugi Predict

Sugi Predict / Compounds / SCHEMBL3867937

SCHEMBL3867937

SCHEMBL3867937

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.38
▸ POLB P06746 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ MMP13 P45452 1/20 0.36
▸ PDK2 Q15119 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ THRB P10828 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ SMPD1 P17405 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ ALK Q9UM73 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
SCHEMBL3866685 0.89 SMYD3 (0.39) CA2HDAC3HDAC4HDAC1HDAC2
SCHEMBL3867779 0.86 KDM4E (0.37) HPGDHTTCA2MEN1MAPT
SCHEMBL3869835 0.84 PTPN1 (0.32) HTTMEN1MAPTTHRBKMT2A
SCHEMBL3867446 0.84 TDP1 (0.39) HTTMEN1MAPTTHRBKMT2A
SCHEMBL5268110 0.84 MEN1 (0.39) HTTMEN1MAPTTHRBKMT2A
SCHEMBL3868600 0.80 TDP1 (0.40) HTTMEN1MAPTTHRBKMT2A
SCHEMBL3931093 0.79 HTT (0.37) HPGDPOLBHTTMMP13PDK2
SCHEMBL12146331 0.79 MEN1 (0.56) HTTMEN1MAPTTHRBKMT2A
SCHEMBL29726657 0.77 MEN1 (0.41) HTTMEN1MAPTTHRBKMT2A
SCHEMBL3859355 0.77 MEN1 (0.41) HTTMEN1MAPTTHRBKMT2A

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 HPGD 2359/4885POLB 4370/4885HTT 1616/4885

“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.