SCHEMBL4415982

SCHEMBL4415982

Cc1c(CCC(=O)O)c(C)n(C)c1C=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PTGES O14684 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
EGFR P00533 1/20 0.36
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
GLA P06280 1/20 0.32

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
SCHEMBL4413212 0.76 MEN1 (0.48) RAB9AHSD17B10GAAALDH1A1GLA
SCHEMBL4406975 0.75 KDM4E (0.42) NPSR1KDM4ENPC1RAB9AHSD17B10
SCHEMBL4414249 0.74 LMNA (0.52) NPSR1NPC1RAB9AGAAALDH1A1
SCHEMBL4407223 0.72 PLA2G2A (0.42) NPSR1KDM4ENPC1RAB9AGAA
SCHEMBL4407284 0.71 LMNA (0.45) NPSR1KDM4ERAB9AGAAALDH1A1
SCHEMBL2919515 0.71 NPSR1 (0.48) NPSR1KDM4ENPC1RAB9AEGFR
SCHEMBL364082 0.69 NPSR1 (0.46) NPSR1KDM4ENPC1RAB9AEGFR
SCHEMBL28830916 0.69 NPSR1 (0.50) NPSR1KDM4ENPC1RAB9AEGFR
SCHEMBL18269303 0.68 PLA2G4A (0.46) KDM4ENPC1RAB9AEGFRHSD17B10
SCHEMBL14560443 0.68 EGFR (0.64) KDM4EEGFRHSD17B10ALDH1A1

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 NPSR1 2564/4885KDM4E 1227/4885PTGES 1259/4885
US-20040024010-A1 3-methylidenyl-2-indolinone modulators of protein kinase DMPK, MAP4K3, MAP3K20 NPSR1 3588/4885KDM4E 927/4885PTGES 1793/4885

“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.