SCHEMBL499346

SCHEMBL499346

CC(=O)c1cccc(OCC(=O)OC(C)(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 13/20 0.55
MAOA P21397 4/20 0.51
ABCB1 P08183 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.49
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL1928759 0.88 KMT2A (0.57) KMT2A
SCHEMBL17024452 0.88 LMNA (0.53) MAPTKMT2A
SCHEMBL3584866 0.87 PSEN1 (0.43) MAOBMAOAMAPTKMT2AMEN1
SCHEMBL5047908 0.87 PARP1 (0.54) MAPTKMT2AMEN1
SCHEMBL22251779 0.86 HPGD (0.54) MAOBABCB1MAPTKMT2AMEN1
SCHEMBL5353265 0.86 SMN1; SMN2 (0.53) MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL8556615 0.85 POLB (0.43) MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL18038110 0.85 KMT2A (0.48) MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL14501385 0.84 PSEN1 (0.45) MAPTKMT2AMEN1
SCHEMBL7396086 0.83 KMT2A (0.61) MAOBMAOAMAPTKMT2ASMN1; SMN2

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-8436183-B2 Synthetic multimerizing agents ARIAD PHARMACEUTICALS, INC. (US) 2013-05-07 US disclosed
US-8436183-B2 Synthetic multimerizing agents ARIAD PHARMACEUTICALS, INC. (US) 2013-05-07 US disclosed
US-20120130076-A1 Synthetic Multimerizing Agents ARIAD PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-8106191-B2 Compounds based on N- acyl-pipecolyl and N-acyl-prolyl ligand moieties for multimerizing chimeric proteins containing immunophilin-derived domains ARIAD PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
EP-0888303-B1 SYNTHETIC DERIVATIVES OF RAPAMYCIN AS MULTIMERIZING AGENTS FOR CHIMERIC PROTEINS WITH IMMUNOPHILIN-DERIVED DOMAINS ARIAD PHARMA INC (US) 2010-04-21 EP disclosed
EP-0776327-B1 NEW MULTIMERIZING AGENTS ARIAD GENE THERAPEUTICS INC (US) 2005-07-06 EP disclosed
US-20040006233-A1 Synthetic multimerizing agents ARIAD PHARMACEUTICALS, INC. 2004-01-08 US disclosed
US-20030036654-A1 Synthetic multimerizing agents HOLT DENNIS A (US) 2003-02-20 US disclosed
US-20020161240-A1 Synthetic multimerizing agents ARIAD GENE THERAPEUTICS, INC. 2002-10-31 US disclosed
US-6150527-A Synthetic multimerizing agents ARIAD PHARMACEUTICALS, INC. (US) 2000-11-21 US disclosed
US-6133456-A DIMERS OF THE MACROCYCLIC NATURAL PRODUCT, FK506, COVALENTLY ATTACHED TO EACH OTHER VIA A SYNTHETIC LINKER MOIETY ARIAD GENE THERAPEUTICS, INC. (US) 2000-10-17 US disclosed
EP-0776327-A4 NEW MULTIMERIZING AGENTS ARIAD GENE THERAPEUTICS INC (US) 1997-12-10 EP disclosed
EP-0776327-A1 NEW MULTIMERIZING AGENTS ARIAD GENE THERAPEUTICS, INC. (US) 1997-06-04 EP disclosed
WO-1996006097-A1 NEW MULTIMERIZING AGENTS ARIAD GENE THERAPEUTICS, INC. (US) 1996-02-29 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 (4 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-20020161240-A1 Synthetic multimerizing agents SSB, F13B, LCP2 MAOB 2516/4885MAOA 3442/4885ABCB1 3476/4885
US-20120130076-A1 Synthetic Multimerizing Agents FKBP1B, FKBP2, FKBP14 MAOB 2214/4885MAOA 2979/4885ABCB1 2386/4885
US-20040006233-A1 Synthetic multimerizing agents FKBP1B, FKBP2, FKBP14 MAOB 2108/4885MAOA 2838/4885ABCB1 2012/4885
US-20030036654-A1 Synthetic multimerizing agents FKBP1B, FKBP2, FKBP14 MAOB 3066/4885MAOA 3659/4885ABCB1 2126/4885

“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.