Sugi Predict

Sugi Predict / Compounds / SCHEMBL4885961

SCHEMBL4885961

SCHEMBL4885961

CC1=Nc2c(ccc3c(S(=O)(=O)O)cccc23)C1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.43
▸ CYP1A2 P05177 3/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ AURKA O14965 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ ATIC P31939 2/20 0.34
▸ SUMO2 P61956 1/20 0.34
▸ SUMO1 P63165 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP2 Q9HC62 1/20 0.34
▸ MPL P40238 6/20 0.34
▸ NSD2 O96028 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ IDE P14735 1/20 0.34
▸ DUSP3 P51452 1/20 0.34
▸ CCR6 P51684 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ SNCA P37840 1/20 0.33
▸ COMT P21964 1/20 0.33

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
Potassium SCHEMBL4171863 0.99 TTR (0.42) TTRCYP1A2MEN1KMT2AAURKA
SCHEMBL4255042 0.84 MPL (0.40) CYP1A2MEN1KMT2AATICSUMO2
SCHEMBL101082 0.84 MYC (0.36) TTRCYP1A2MEN1KMT2AAURKA
SCHEMBL633391 0.81 MPL (0.33) CYP1A2SUMO2SUMO1SENP7SENP2
SCHEMBL14566372 0.80 MEN1 (0.55) TTRCYP1A2MEN1KMT2AAURKA
SCHEMBL4437128 0.76 ALDH1A1 (0.35) CYP1A2MEN1KMT2ASUMO2SUMO1
SCHEMBL14958133 0.72 MEN1 (0.52) TTRCYP1A2MEN1KMT2AATIC
SCHEMBL30233642 0.71 TTR (0.75) TTRCYP1A2MEN1KMT2AAURKA
SCHEMBL29363198 0.71 TTR (0.75) TTRCYP1A2MEN1KMT2AAURKA
SCHEMBL6242 0.71 TTR (0.75) TTRCYP1A2MEN1KMT2AAURKA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919333-B2 Bis-transition-metal-chelate probes RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2005-07-19 — — US claimed
WO-2005029075-A1 BIS-TRANSITION-METAL-CHELATE PROBES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2005-03-31 — — WO claimed
EP-1506402-A2 BIS-TRANSITION-METAL-CHELATE-PROBES Rutgers, The State University of New Jersey (US) 2005-02-16 — — EP claimed
US-20040096887-A1 Bis-transition-metal-chelate probes RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2004-05-20 — — US claimed
US-20040019104-A1 Reagents and procedures for high-specificity labeling RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2004-01-29 — — US claimed
WO-2003107010-A1 REAGENTS AND PROCEDURES FOR HIGH-SPECIFICITY LABELING RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2003-12-24 — — WO claimed
WO-2003091689-A2 BIS-TRANSITION-METAL-CHELATE-PROBES RUTGERS, THE STATE OF UNIVERSITY OF NEW JERSEY (US) 2003-11-06 — — WO claimed
US-20150073154-A1 Discrete PEG Based Dyes EQUIP, LLC (US) 2015-03-12 — — US disclosed
US-7381572-B2 Reagents and procedures for multi-label high-specificity labeling RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2008-06-03 — — US disclosed
US-7371745-B2 Bis-transition-metal-chelate probes RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2008-05-13 — — US disclosed
US-7282373-B2 Ultra-high specificity fluorescent labeling RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2007-10-16 — — US disclosed
US-7141655-B2 Reagents and procedures for high-specificity labeling RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2006-11-28 — — US disclosed
US-20060141530-A1 Using arsenic-mediated labeling to permit orthogonal molecule-specific, site-specific labeling of target molecules, such as proteins, with multiple labels; complex of peptide with tag of a cyanine dye having pendant 2,5-dithia-arsacyclopentane groups RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2006-06-29 — — US disclosed
WO-2005029075-A1 BIS-TRANSITION-METAL-CHELATE PROBES RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2005-03-31 — — WO disclosed
EP-1506402-A2 BIS-TRANSITION-METAL-CHELATE-PROBES Rutgers, The State University of New Jersey (US) 2005-02-16 — — EP disclosed
US-20050031545-A1 Bis-transition-metal-chelate probes RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2005-02-10 — — US disclosed
US-20040096887-A1 Bis-transition-metal-chelate probes RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2004-05-20 — — US disclosed
US-20040019104-A1 Reagents and procedures for high-specificity labeling RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2004-01-29 — — US disclosed
WO-2003107010-A1 REAGENTS AND PROCEDURES FOR HIGH-SPECIFICITY LABELING RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2003-12-24 — — WO disclosed
WO-2003091689-A2 BIS-TRANSITION-METAL-CHELATE-PROBES RUTGERS, THE STATE OF UNIVERSITY OF NEW JERSEY (US) 2003-11-06 — — WO 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 (5 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-20050031545-A1 Bis-transition-metal-chelate probes SCO2, CDY1; CDY1B, CDYL TTR 3308/4885CYP1A2 1867/4885MEN1 2092/4885
US-20150073154-A1 Discrete PEG Based Dyes MKI67, MUC1, TP53 TTR 37/4885CYP1A2 4208/4885MEN1 2840/4885
US-20040096887-A1 Bis-transition-metal-chelate probes SCO2, CDY1; CDY1B, PYM1 TTR 3219/4885CYP1A2 2274/4885MEN1 1625/4885
US-20060141530-A1 Using arsenic-mediated labeling to permit orthogonal molecule-specific, site-specific labeling of target molecules, such as proteins, with multiple labels; complex of peptide with tag of a cyanine dye having pendant 2,5-dithia-arsacyclopentane groups AS3MT, ARSA, PTMS TTR 83/4885CYP1A2 4752/4885MEN1 2464/4885
US-20040019104-A1 Reagents and procedures for high-specificity labeling AS3MT, SRMS, HNRNPH3 TTR 184/4885CYP1A2 2436/4885MEN1 4142/4885

“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.