SCHEMBL4405138

SCHEMBL4405138

COc1ccccc1-c1ccc(CC(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EIF4E P06730 1/20 0.48
▸ ALDH1A1 P00352 7/20 0.48
▸ TDP1 Q9NUW8 3/20 0.48
▸ GAA P10253 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ MAPT P10636 4/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ S1PR1 P21453 1/20 0.44
▸ PTGDR2 Q9Y5Y4 3/20 0.43
▸ CA5A P35218 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2976618 0.83 GAA (0.60) ALDH1A1TDP1GAATSHRNFKB1
SCHEMBL2976612 0.83 GAA (0.60) ALDH1A1TDP1GAATSHRNFKB1
SCHEMBL5673785 0.80 ALDH1A1 (0.60) ALDH1A1TDP1GAATSHRNFKB1
SCHEMBL2593397 0.80 ALDH1A1 (0.60) ALDH1A1TDP1GAATSHRNFKB1
SCHEMBL15822786 0.80 ALDH1A1 (0.53) ALDH1A1TDP1GAATSHRMEN1
SCHEMBL5204454 0.79 PTGDR2 (0.53) ALDH1A1TDP1GAATSHRNFKB1
SCHEMBL10714069 0.79 GAA (0.52) ALDH1A1TDP1GAATSHRNFKB1
SCHEMBL4408350 0.78 FBP1 (0.52) EIF4EALDH1A1MEN1KMT2ANPC1
SCHEMBL5256348 0.77 GAA (0.57) ALDH1A1TDP1GAATSHRNFKB1
SCHEMBL5496444 0.77 GAA (0.54) ALDH1A1TDP1GAATSHRNFKB1

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 44 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-7189721-B2 Bicyclic protein kinase inhibitors SUGEN INC. (US) 2007-03-13 — — US 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-6846839-B1 Methods for treating diseases and disorders related to unregulated angiogenesis and/or vasculogenesis SUGEN, INC. (US) 2005-01-25 — — US disclosed
US-20040147586-A1 Indolinone derivatives as protein kinase/phosphatase inhibitors SUGEN, INC. 2004-07-29 — — US disclosed
US-20040106630-A1 Bicyclic protein kinase inhibitors SUGEN, INC. 2004-06-03 — — US disclosed
US-20040106618-A1 Bicyclic protein kinase inhibitors SUGEN, INC. 2004-06-03 — — US disclosed
US-6313158-B1 THERAPY AND PROPHYLAXIS OF CANCER SUGEN, INC. 2001-11-06 — — US disclosed
EP-1082305-A4 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS SUGEN INC (US) 2001-09-26 — — EP disclosed
WO-2001037820-A2 IONIZABLE INDOLINONE DERIVATIVES AND THEIR USE AS PTK LIGANDS SUGEN, INC. (US) 2001-05-31 — — WO disclosed
EP-1082305-A1 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2001-03-14 — — EP 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
US-6051593-A USEFUL IN THE PREVENTION AND TREATMENT OF PROTEIN TYROSINE KINASE RELATED CELLULAR DISORDERS SUCH AS CANCER SUGEN, INC. (US) 2000-04-18 — — US disclosed
WO-2000008202-A2 3-METHYLIDENYL-2-INDOLINONE MODULATORS OF PROTEIN KINASE SUGEN, INC. (US) 2000-02-17 — — WO disclosed
WO-1999061422-A1 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 1999-12-02 — — 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 (3 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-20040106618-A1 Bicyclic protein kinase inhibitors MAP3K20, MAP4K3, MAP4K2 EIF4E 598/4885ALDH1A1 3733/4885TDP1 1109/4885
US-20040147586-A1 Indolinone derivatives as protein kinase/phosphatase inhibitors PHKA1, PHKA2, PDPK1 EIF4E 1444/4885ALDH1A1 2164/4885TDP1 950/4885
US-20040106630-A1 Bicyclic protein kinase inhibitors MAP3K20, MAP4K3, MAP4K2 EIF4E 598/4885ALDH1A1 3733/4885TDP1 1109/4885

“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.

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