Sugi Predict

Sugi Predict / Compounds / SCHEMBL4077964

SCHEMBL4077964

SCHEMBL4077964

O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCCCC(C(=O)O)N1C(=O)CC(=O)C1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.68
▸ FOLH1 Q04609 2/20 0.55
▸ CA12 O43570 3/20 0.52
▸ CA1 P00915 3/20 0.52
▸ CA2 P00918 3/20 0.52
▸ CA9 Q16790 3/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ ABL1 P00519 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ IDE P14735 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ RIN1 Q13671 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ CAPN1 P07384 2/20 0.51
▸ PLCD1 P51178 1/20 0.51
▸ ITGB1 P05556 1/20 0.49
▸ ITGA4 P13612 1/20 0.49
▸ FGF1 P05230 1/20 0.47

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
SCHEMBL7906513 0.90 TDP1 (0.72) TDP1FOLH1CA12CA1CA2
SCHEMBL25305424 0.89 TDP1 (0.70) TDP1FOLH1CA12CA1CA2
SCHEMBL28653646 0.89 TDP1 (0.70) TDP1FOLH1CA12CA1CA2
SCHEMBL20537346 0.89 TDP1 (0.70) TDP1FOLH1CA12CA1CA2
Biotin SCHEMBL15104961 0.88 TDP1 (0.68) TDP1FOLH1CA12CA1CA2
SCHEMBL12098624 0.84 TDP1 (0.83) TDP1FOLH1CA12CA1CA2
SCHEMBL29531469 0.83 TDP1 (0.61) TDP1FOLH1CA12CA1CA2
SCHEMBL9807479 0.82 TDP1 (0.77) TDP1FOLH1CA12CA1CA2
SCHEMBL18779801 0.82 TDP1 (0.78) TDP1FOLH1CA12CA1CA2
SCHEMBL564538 0.81 TDP1 (1.00) TDP1FOLH1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491818-B2 Nucleic acid labeling compounds AFFYMETRIX, INC. (US) 2009-02-17 — — US disclosed
US-7423143-B2 Nucleic acid labeling compounds AFFYMETRIX. INC. (US) 2008-09-09 — — US disclosed
US-7291463-B2 Incubating/condensating pseudoisocytidine molecule with (1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride to provide a pseudouridine molecule; oncology diagnosis AFFYMETRIX, INC. (US) 2007-11-06 — — US disclosed
US-7282327-B2 Nucleic acid labeling compounds AFFYMETRIX, INC. (US) 2007-10-16 — — US disclosed
US-7179905-B2 Nucleic acid labeling compounds AFFYMETRIX, INC. (US) 2007-02-20 — — US disclosed
US-20050287563-A1 Nucleic acid labeling compounds AFFYMETRIX, INC. 2005-12-29 — — US disclosed
US-6965020-B2 Nucleic acid labeling compounds AFFYMETRIX, INC. (US) 2005-11-15 — — US disclosed
EP-1589025-A2 Nucleic acid labeling compounds Affymetrix, Inc. (US) 2005-10-26 — — EP disclosed
US-20050164268-A1 Nucleic acid labeling compounds AFFYMETRIX, INC. 2005-07-28 — — US disclosed
EP-1124838-B1 NUCLEIC ACID LABELING COMPOUNDS AFFYMETRIX INC (US) 2005-06-01 — — EP disclosed
US-20040002595-A1 Nucleic acid labeling compounds AFFYMETRIX, INC. 2004-01-01 — — US disclosed
US-20030232979-A1 Nucleic acid labeling compounds AFFYMETRIX, INC. 2003-12-18 — — US disclosed
US-20030180757-A1 Nucleic acid labeling compounds AFFYMETRIX, INC. 2003-09-25 — — US disclosed
US-6596856-B2 For probes, comprising a heterocycle condensed with a cyclic group such as ribofuranose derivative; biotin and 5-carboxyfluorescein derivatives AFFYMETRIX, INC. 2003-07-22 — — US disclosed
US-20020165372-A1 Nucleic acid labeling compounds AFFYMETRIX, INC. 2002-11-07 — — US disclosed
WO-2000006771-A9 NUCLEIC ACID LABELING COMPOUNDS AFFYMETRIX INC (US) 2002-08-22 — — WO disclosed
US-20010044531-A1 Nucleic acid labeling compounds AFFYMETRIX, INC. 2001-11-22 — — US disclosed
US-20010018514-A1 NUCLEIC ACID LABELING COMPOUNDS AFFYMETRIX, INC. 2001-08-30 — — US disclosed
EP-1124838-A2 NUCLEIC ACID LABELING COMPOUNDS Affymetrix, Inc. (US) 2001-08-22 — — EP disclosed
WO-2000006771-A2 NUCLEIC ACID LABELING COMPOUNDS AFFYMETRIX, INC. (US) 2000-02-10 — — 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 (8 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-20040002595-A1 Nucleic acid labeling compounds RNGTT, DUT, FBL TDP1 241/4885FOLH1 1252/4885CA12 2932/4885
US-20030180757-A1 Nucleic acid labeling compounds RNGTT, DUT, FBL TDP1 241/4885FOLH1 1252/4885CA12 2932/4885
US-20050164268-A1 Nucleic acid labeling compounds RNGTT, DUT, FBL TDP1 241/4885FOLH1 1252/4885CA12 2932/4885
US-20010044531-A1 Nucleic acid labeling compounds RNGTT, DUT, FBL TDP1 241/4885FOLH1 1252/4885CA12 2932/4885
US-20050287563-A1 Nucleic acid labeling compounds RNGTT, DUT, FBL TDP1 241/4885FOLH1 1252/4885CA12 2932/4885
US-20010018514-A1 NUCLEIC ACID LABELING COMPOUNDS RNGTT, DUT, FBL TDP1 241/4885FOLH1 1252/4885CA12 2932/4885
US-20020165372-A1 Nucleic acid labeling compounds RNGTT, DUT, FBL TDP1 241/4885FOLH1 1252/4885CA12 2932/4885
US-20030232979-A1 Nucleic acid labeling compounds RNGTT, DUT, FBL TDP1 241/4885FOLH1 1252/4885CA12 2932/4885

“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.