SCHEMBL4408465

SCHEMBL4408465

Cc1c(CCC(=O)O)c(C)n(Cc2cccc(F)c2)c1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.43
FFAR1 O14842 1/20 0.42
PTGDR2 Q9Y5Y4 3/20 0.41
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
GAA P10253 1/20 0.40
LMNA P02545 2/20 0.40
GLA P06280 1/20 0.40
PLA2G2A P14555 3/20 0.39
AR P10275 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.39
FABP3 P05413 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FABP4 P15090 1/20 0.38

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
SCHEMBL4410694 0.88 L3MBTL1 (0.44) LMNAGLAPLA2G2AARALDH1A1
SCHEMBL4414249 0.87 LMNA (0.52) PTGDR2THRATHRBGAALMNA
SCHEMBL4407284 0.86 LMNA (0.45) FFAR1PTGDR2THRATHRBGAA
SCHEMBL4408116 0.85 PLA2G2A (0.48) FFAR1THRBPLA2G2AMAPTPOLB
SCHEMBL4413184 0.75 PLA2G2A (0.48) THRBPLA2G2AMAPTPOLB
SCHEMBL334758 0.70 FFAR1 (0.68) FFAR1PKM
SCHEMBL4406975 0.69 KDM4E (0.42) RCE1GAAGLAALDH1A1NPSR1
SCHEMBL4415982 0.68 NPSR1 (0.38) GAAGLAALDH1A1NPSR1KDM4E
SCHEMBL1940370 0.66 PTGDR2 (0.77) PTGDR2
SCHEMBL28849639 0.65 FFAR1 (0.57) FFAR1

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 RCE1 559/4885FFAR1 3830/4885PTGDR2 1030/4885
US-20040024010-A1 3-methylidenyl-2-indolinone modulators of protein kinase DMPK, MAP4K3, MAP3K20 RCE1 813/4885FFAR1 2859/4885PTGDR2 898/4885

“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.