SCHEMBL4406975

SCHEMBL4406975

COC(=O)Cn1c(C)c(CCC(=O)O)c(C)c1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
HSD17B10 Q99714 5/20 0.42
ALDH1A1 P00352 4/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
KMT2A Q03164 1/20 0.42
RCE1 Q9Y256 1/20 0.42
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
IMPDH2 P12268 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALOX15 P16050 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MAPK1 P28482 1/20 0.32
HPGD P15428 2/20 0.31
POLB P06746 1/20 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
SCHEMBL4407042 0.77 TSHR (0.36) GAAMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL4415982 0.75 NPSR1 (0.38) KDM4EHSD17B10ALDH1A1GAAGLA
SCHEMBL4414249 0.75 LMNA (0.52) ALDH1A1GAAMEN1KMT2ATSHR
SCHEMBL4407223 0.73 PLA2G2A (0.42) KDM4EALDH1A1GAAMEN1GLA
SCHEMBL4408704 0.73 PLA2G2A (0.41) ALDH1A1GAAMEN1KMT2ATSHR
SCHEMBL4407284 0.72 LMNA (0.45) KDM4EALDH1A1GAATSHRCYP1A2
SCHEMBL4410694 0.69 L3MBTL1 (0.44) KDM4EHSD17B10ALDH1A1GLAKMT2A
SCHEMBL4413184 0.69 PLA2G2A (0.48) SMN1; SMN2POLBMAPT
SCHEMBL9772389 0.65 ALDH1A1 (0.54) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL28830916 0.62 NPSR1 (0.50) KDM4EHSD17B10ALDH1A1GAAMEN1

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 12 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
WO-2000008202-A2 3-METHYLIDENYL-2-INDOLINONE MODULATORS OF PROTEIN KINASE SUGEN, INC. (US) 2000-02-17 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 KDM4E 1227/4885HSD17B10 2170/4885ALDH1A1 2172/4885
US-20040024010-A1 3-methylidenyl-2-indolinone modulators of protein kinase DMPK, MAP4K3, MAP3K20 KDM4E 927/4885HSD17B10 1857/4885ALDH1A1 2196/4885

“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.