SCHEMBL3415097

SCHEMBL3415097

Cc1cc(CCC(=O)O)c[nH]1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
KEAP1 Q14145 1/20 0.47
NOTUM Q6P988 1/20 0.45
FFAR1 O14842 12/20 0.44
FFAR4 Q5NUL3 2/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
PPARG P37231 1/20 0.39

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
SCHEMBL6327779 0.79 NOTUM (0.48) NOTUM
SCHEMBL10264319 0.77 GABRA1 (0.44) NPSR1KEAP1
SCHEMBL5368133 0.76 KEAP1 (0.42) NPSR1KEAP1FFAR1FFAR4
SCHEMBL1004268 0.75 ALDH1A1 (0.50) KEAP1FFAR1FFAR4
SCHEMBL5670212 0.73 KEAP1 (0.64) NPSR1KEAP1FFAR1FFAR4RXRA
SCHEMBL5846204 0.72 FFAR1 (0.61) NPSR1KEAP1FFAR1FFAR4RXRA
SCHEMBL13103035 0.72 ALDH1A1 (0.45) FFAR1FFAR4PPARG
SCHEMBL20206944 0.72
SCHEMBL18258239 0.71 NPSR1 (0.57) NPSR1KEAP1FFAR1FFAR4
SCHEMBL25240683 0.71 DAO (0.47) NPSR1KEAP1FFAR1FFAR4RXRA

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140186875-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSIS MONTANA STATE UNIVERSITY (US) 2014-07-03 US disclosed
US-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES NATIONAL SCIENCE FOUNDATION 2010-10-07 US disclosed
US-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES NATIONAL SCIENCE FOUNDATION 2010-10-07 US disclosed
US-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES NATIONAL SCIENCE FOUNDATION 2010-10-07 US disclosed
EP-2164997-A2 NOVEL OPTICAL LABELING MOLECULES IN PROTEOMICS AND OTHER BIOLOGICAL ANALYSES Montana State University (US) 2010-03-24 EP disclosed
WO-2009005871-A2 NOVEL OPTICAL LABELING MOLECULES IN PROTEOMICS AND OTHER BIOLOGICAL ANALYSES MONTANA STATE UNIVERSITY (US) 2009-01-08 WO disclosed
WO-2009005871-A2 NOVEL OPTICAL LABELING MOLECULES IN PROTEOMICS AND OTHER BIOLOGICAL ANALYSES MONTANA STATE UNIVERSITY (US) 2009-01-08 WO disclosed
US-20060166982-A1 Isotopically labelly indlinone derivatives and process for their preparation PFIZER ITALIA S.R.L. (IT) 2006-07-27 US disclosed
EP-1542734-A1 ISOTOPICALLY LABELLED INDOLINONE DERIVATIVES AND PROCESS FOR THEIR PREPARATION Pharmacia Italia S.p.A. (IT) 2005-06-22 EP disclosed
US-6855730-B2 3-methylidenyl-2-indolinone modulators of protein kinase SUGEN, INC. (US) 2005-02-15 US disclosed
WO-2004012776-A1 ISOTOPICALLY LABELLED INDOLINONE DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA ITALIA S.P.A. (IT) 2004-02-12 WO disclosed
US-20040024010-A1 3-methylidenyl-2-indolinone modulators of protein kinase SUGEN, INC. 2004-02-05 US disclosed
US-6531502-B1 Antitumor SUGEN, INC. 2003-03-11 US 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 (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-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES PTMS, CHAMP1, RAB5IF NPSR1 3986/4885KEAP1 2755/4885NOTUM 485/4885
US-20040024010-A1 3-methylidenyl-2-indolinone modulators of protein kinase DMPK, MAP4K3, MAP3K20 NPSR1 3588/4885KEAP1 1622/4885NOTUM 3157/4885
US-20060166982-A1 Isotopically labelly indlinone derivatives and process for their preparation CYP3A5, SLC10A2, TMEM14C NPSR1 2446/4885KEAP1 2386/4885NOTUM 1073/4885

“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.