SCHEMBL4407864

SCHEMBL4407864

CCN(CC)Cc1cccc(C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 12/20 0.65
MEP1A Q16819 3/20 0.65
FOLH1 Q04609 1/20 0.58
BCHE P06276 1/20 0.57
LTA4H P09960 1/20 0.56
MRGPRX4 Q96LA9 2/20 0.53
TP53 P04637 1/20 0.53
PKM P14618 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PTPN1 P18031 1/20 0.51

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
SCHEMBL1456846 0.88 MEP1B (0.60) MEP1BMEP1AFOLH1BCHEMRGPRX4
Benzoic Acid SCHEMBL4162737 0.87 MEP1B (0.55) MEP1BMEP1ABCHELTA4H
SCHEMBL11811255 0.87 MEP1B (0.72) MEP1BMEP1AFOLH1PTPN1
SCHEMBL8965622 0.87 MEP1B (0.56) MEP1BMEP1AFOLH1BCHELTA4H
SCHEMBL15142867 0.86 FOLH1 (0.54) MEP1BMEP1AFOLH1MRGPRX4TP53
SCHEMBL40108 0.86 MEP1B (0.51) MEP1BMEP1AFOLH1BCHELTA4H
SCHEMBL5915679 0.86 POLB (0.57) MEP1BMEP1ABCHETP53PKM
SCHEMBL8173564 0.84 MEP1B (0.66) MEP1BMEP1ABCHEPTPN1
SCHEMBL4405810 0.84 MEP1B (0.72) MEP1BMEP1AFOLH1PTPN1
SCHEMBL29630981 0.84 FOLH1 (0.59) MEP1BMEP1AFOLH1MRGPRX4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242408-B1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION HOFFMANN LA ROCHE (CH) 2005-10-12 EP claimed
US-4305940-A Benzamides with local anaesthetic and antiarrhythmic activity, salts, and method of preparation thereof and pharmaceutical compositions therefrom B.B.R. BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1981-12-15 US claimed
US-20090318396-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY GILEAD SCIENCES, INC. (US) 2009-12-24 US disclosed
WO-2009152171-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY GILEAD SCIENCES, INC. (US) 2009-12-17 WO disclosed
EP-1242408-B1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION HOFFMANN LA ROCHE (CH) 2005-10-12 EP disclosed
EP-1242408-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 2002-09-25 EP disclosed
US-6313143-B1 USEFUL IN THERAPY OF CELL PROLIFERATIVE DISORDERS SUCH AS CANCER HOFFMANN-LA ROCHE INC. 2001-11-06 US disclosed
WO-2001044234-A1 SUBSTITUTED BISINDOLYLMALEIMIDES FOR THE INHIBITION OF CELL PROLIFERATION F. HOFFMANN-LA ROCHE AG (CH) 2001-06-21 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 (1 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-20090318396-A1 CORTICOSTEROID LINKED BETA-AGONIST COMPOUNDS FOR USE IN THERAPY ADRB1, ADRB2, ADRB3 MEP1B 1278/4885MEP1A 2716/4885FOLH1 2588/4885

“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.