Sugi Predict

Sugi Predict / Compounds / SCHEMBL4414607

SCHEMBL4414607

SCHEMBL4414607

COc1cccc(-c2ccc(C(C(=O)O)C(=O)O)c([N+](=O)[O-])c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 3/20 0.49
▸ ABCB1 P08183 3/20 0.48
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ MAPT P10636 3/20 0.44
▸ EIF4E P06730 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ FFAR1 O14842 1/20 0.43
▸ AKR1B10 O60218 1/20 0.43
▸ AKR1B1 P15121 1/20 0.43
▸ AKR1C4 P17516 1/20 0.43
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ AKR1C1 Q04828 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42

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
SCHEMBL4414605 1.00 FBP1 (0.49) FBP1ABCB1NPC1RAB9ACASP3
SCHEMBL4990873 0.90 PKM (0.46) FBP1ABCB1NPC1RAB9ACASP3
SCHEMBL4414623 0.89 ALDH1A1 (0.58) FBP1ABCB1NPC1RAB9ACASP3
SCHEMBL4404912 0.88 ABCB1 (0.48) ABCB1NPC1RAB9AMAPTHPGD
SCHEMBL4404908 0.88 ABCB1 (0.48) ABCB1NPC1RAB9AMAPTHPGD
SCHEMBL3582173 0.85 ALDH1A1 (0.51) NPC1RAB9AMAPTHPGDALDH1A1
SCHEMBL3582172 0.85 ALDH1A1 (0.51) NPC1RAB9AMAPTHPGDALDH1A1
SCHEMBL6225598 0.81 FBP1 (0.55) FBP1ABCB1NPC1RAB9ACASP3
SCHEMBL4408793 0.79 PTPRC (0.46) ABCB1MAPTEIF4EALDH1A1AKR1C3
SCHEMBL4408789 0.79 PTPRC (0.46) ABCB1MAPTEIF4EALDH1A1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2020408-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors Sugen, Inc. (US) 2009-02-04 — — EP disclosed
US-7119090-B2 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. (US) 2006-10-10 — — US disclosed
US-7071332-B2 Indolinone derivatives as protein kinase/phosphatase inhibitors SUGEN, INC. (US) 2006-07-04 — — US disclosed
US-6878733-B1 Formulations for pharmaceutical agents ionizable as free acids or free bases SUGEN, INC. (US) 2005-04-12 — — US disclosed
US-6855730-B2 3-methylidenyl-2-indolinone modulators of protein kinase SUGEN, INC. (US) 2005-02-15 — — US disclosed
US-20040147586-A1 Indolinone derivatives as protein kinase/phosphatase inhibitors SUGEN, INC. 2004-07-29 — — US disclosed
US-20040067531-A1 Methods of modulating protein tyrosine kinase function with substituted indolinone compounds SUGEN, INC. 2004-04-08 — — US disclosed
US-6706709-B2 TREATING, FOR EXAMPLE, PROLIFERATIVE DISORDERS INCLUDING CANCER SUGEN, INC. 2004-03-16 — — US disclosed
US-20040024010-A1 3-methylidenyl-2-indolinone modulators of protein kinase SUGEN, INC. 2004-02-05 — — US disclosed
US-20030203901-A1 Methods of modulating tyrosine protein kinase function with indolinone compounds SUGEN, INC. 2003-10-30 — — US disclosed
EP-1294688-A2 INDOLINONE DERIVATIVES AS PROTEIN KINASE/PHOSPHATASE INHIBITORS Sugen, Inc. (US) 2003-03-26 — — EP disclosed
US-6514981-B1 By contacting cells expressing said protein tyrosine kinase with compound SUGEN, INC. 2003-02-04 — — US disclosed
EP-1233943-A2 IONIZABLE INDOLINONE DERIVATIVES AND THEIR USE AS PTK LIGANDS Sugen, Inc. (US) 2002-08-28 — — EP disclosed
US-6395734-B1 ANTICANCER AGENTS SUGEN, INC. 2002-05-28 — — US disclosed
US-20020052369-A1 Indolinone derivatives as protein kinase/phosphatase inhibitors SUGEN, INC. 2002-05-02 — — US disclosed
WO-2001094312-A2 INDOLINONE DERIVATIVES AS PROTEIN KINASE/PHOSPHATASE INHIBITORS SUGEN, INC. (US) 2001-12-13 — — WO disclosed
WO-2001037820-A2 IONIZABLE INDOLINONE DERIVATIVES AND THEIR USE AS PTK LIGANDS SUGEN, INC. (US) 2001-05-31 — — WO disclosed
EP-1066257-A2 HETEROCYLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE Sugen, Inc. (US) 2001-01-10 — — EP disclosed
WO-1999048868-A9 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN INC (US) 2000-04-20 — — WO disclosed
WO-1999048868-A2 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN, INC. (US) 1999-09-30 — — 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-20040067531-A1 Methods of modulating protein tyrosine kinase function with substituted indolinone compounds ABL1, LCK, PNCK FBP1 2568/4885ABCB1 3623/4885NPC1 4045/4885
US-20040024010-A1 3-methylidenyl-2-indolinone modulators of protein kinase DMPK, MAP4K3, MAP3K20 FBP1 1588/4885ABCB1 1406/4885NPC1 3867/4885
US-20040147586-A1 Indolinone derivatives as protein kinase/phosphatase inhibitors PHKA1, PHKA2, PDPK1 FBP1 725/4885ABCB1 2281/4885NPC1 2316/4885
US-20030203901-A1 Methods of modulating tyrosine protein kinase function with indolinone compounds LCK, ABL1, PNCK FBP1 2416/4885ABCB1 3672/4885NPC1 4104/4885
US-20020052369-A1 Indolinone derivatives as protein kinase/phosphatase inhibitors PHKA1, PHKA2, PDPK1 FBP1 725/4885ABCB1 2281/4885NPC1 2316/4885

“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.