Sugi Predict

Sugi Predict / Compounds / SCHEMBL4404908

SCHEMBL4404908

SCHEMBL4404908

COc1ccc(-c2ccc(C(C(=O)O)C(=O)O)c([N+](=O)[O-])c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 3/20 0.48
▸ MAPT P10636 6/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ RAF1 P04049 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ PAX8 Q06710 1/20 0.44
▸ HTR7 P34969 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ AKR1C3 P42330 2/20 0.43
▸ AKR1C2 P52895 2/20 0.43
▸ AKR1B10 O60218 1/20 0.43
▸ AKR1B1 P15121 1/20 0.43
▸ AKR1C4 P17516 1/20 0.43
▸ AKR1C1 Q04828 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ NPC1 O15118 2/20 0.41

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
SCHEMBL4404912 1.00 ABCB1 (0.48) ABCB1MAPTALDH1A1MAPK1HPGD
SCHEMBL3582172 0.89 ALDH1A1 (0.51) MAPTALDH1A1MAPK1HPGDMEN1
SCHEMBL3582173 0.89 ALDH1A1 (0.51) MAPTALDH1A1MAPK1HPGDMEN1
SCHEMBL4414607 0.88 FBP1 (0.49) ABCB1MAPTALDH1A1MAPK1HPGD
SCHEMBL4414605 0.88 FBP1 (0.49) ABCB1MAPTALDH1A1MAPK1HPGD
SCHEMBL4011721 0.88 ALDH1A1 (0.58) ABCB1MAPTALDH1A1MAPK1HPGD
SCHEMBL9652429 0.80 AKR1C3 (0.49) MAPTALDH1A1MAPK1HPGDLMNA
SCHEMBL4408793 0.80 PTPRC (0.46) ABCB1MAPTALDH1A1AKR1C3AKR1C2
SCHEMBL4408789 0.80 PTPRC (0.46) ABCB1MAPTALDH1A1AKR1C3AKR1C2
SCHEMBL12202195 0.79 ABCB1 (0.50) ABCB1MAPTALDH1A1MAPK1HPGD

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 19 patents. 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-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-20030203901-A1 Methods of modulating tyrosine protein kinase function with indolinone compounds SUGEN, INC. 2003-10-30 — — US disclosed
US-20030105151-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. 2003-06-05 — — 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-20030105151-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors DMPK, PDPK1, PLK2 ABCB1 1189/4885MAPT 2731/4885ALDH1A1 2172/4885
US-20040067531-A1 Methods of modulating protein tyrosine kinase function with substituted indolinone compounds ABL1, LCK, PNCK ABCB1 3623/4885MAPT 1859/4885ALDH1A1 3893/4885
US-20040147586-A1 Indolinone derivatives as protein kinase/phosphatase inhibitors PHKA1, PHKA2, PDPK1 ABCB1 2281/4885MAPT 1822/4885ALDH1A1 2164/4885
US-20030203901-A1 Methods of modulating tyrosine protein kinase function with indolinone compounds LCK, ABL1, PNCK ABCB1 3672/4885MAPT 1673/4885ALDH1A1 3861/4885
US-20020052369-A1 Indolinone derivatives as protein kinase/phosphatase inhibitors PHKA1, PHKA2, PDPK1 ABCB1 2281/4885MAPT 1822/4885ALDH1A1 2164/4885

“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.