SCHEMBL4408704

SCHEMBL4408704

COC(=O)CCc1c(C)c(C=O)n(CC2CCCCC2)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.41
EPHX2 P34913 4/20 0.35
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
AR P10275 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
OPRL1 P41146 2/20 0.31

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
SCHEMBL7475441 0.71 MAPK8 (0.40) PLA2G2AEPHX2TSHRMAPK1ALDH1A1
SCHEMBL4410694 0.68 L3MBTL1 (0.44) PLA2G2ATSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL4413184 0.68 PLA2G2A (0.48) PLA2G2ASMN1; SMN2
SCHEMBL14995573 0.64 MAPK8 (0.43) PLA2G2ATSHRALDH1A1HPGDMEN1
SCHEMBL7476209 0.64 NOTUM (0.38) PLA2G2AALDH1A1NPSR1
SCHEMBL2907816 0.62 HPGD (0.53) EPHX2TSHRALDH1A1HPGDMEN1
SCHEMBL9130829 0.62 HPGD (0.53) EPHX2TSHRALDH1A1HPGDMEN1
SCHEMBL7813023 0.62 ADH1B (0.33) ALDH1A1MEN1KMT2ANPSR1AR
SCHEMBL106265 0.62 KMT2A (0.50) EPHX2TSHRALDH1A1HPGDKMT2A
SCHEMBL8099254 0.62 KMT2A (0.50) EPHX2TSHRALDH1A1HPGDKMT2A

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 11 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-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-20040024010-A1 3-methylidenyl-2-indolinone modulators of protein kinase SUGEN, INC. 2004-02-05 US disclosed
US-20030105151-A1 Pyrrole substituted 2-indolinone protein kinase inhibitors SUGEN, INC. 2003-06-05 US disclosed
US-6531502-B1 Antitumor SUGEN, INC. 2003-03-11 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
WO-2001037820-A2 IONIZABLE INDOLINONE DERIVATIVES AND THEIR USE AS PTK LIGANDS SUGEN, INC. (US) 2001-05-31 WO disclosed
WO-2000008202-A9 3-METHYLIDENYL-2-INDOLINONE MODULATORS OF PROTEIN KINASE SUGEN INC (US) 2000-07-27 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 (2 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 PLA2G2A 2892/4885EPHX2 4156/4885TSHR 3241/4885
US-20040024010-A1 3-methylidenyl-2-indolinone modulators of protein kinase DMPK, MAP4K3, MAP3K20 PLA2G2A 2214/4885EPHX2 3910/4885TSHR 3160/4885

“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.