SCHEMBL2770487

SCHEMBL2770487

O=C(O)COc1cccc([CH]CCc2cccnc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
THRB P10828 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PPARA Q07869 2/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
CA9 Q16790 2/20 0.46
PPARG P37231 1/20 0.45
TBXAS1 P24557 7/20 0.45
PTGER2 P43116 2/20 0.45
NAPRT Q6XQN6 1/20 0.43
CYP2C9 P11712 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL2769712 0.86 PPARA (0.53) LMNAALDH1A1PPARAPPARGMEN1
SCHEMBL2789632 0.85 GRM2 (0.44) LMNAALDH1A1THRBSMN1; SMN2PPARA
SCHEMBL2770489 0.83 PPARA (0.62) LMNAPPARACA12CA1CA2
SCHEMBL2768776 0.75 LMNA (0.52) LMNAALDH1A1SMN1; SMN2PPARAPPARG
SCHEMBL2769875 0.75 LMNA (0.52) LMNAALDH1A1SMN1; SMN2PPARAPPARG
SCHEMBL353914 0.74 MAOA (0.61) LMNAPPARAPPARGMAOAMAOB
SCHEMBL2009003 0.74 ALOX15 (0.62) LMNACA12CA1CA2CA4
SCHEMBL6166590 0.74 NAMPT (0.54) LMNAALDH1A1POLB
SCHEMBL6166592 0.74 NAMPT (0.54) LMNAALDH1A1POLB
SCHEMBL15517627 0.74 KMO (0.55) LMNAPPARACA12CA1CA2

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 10 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-20120130076-A1 Synthetic Multimerizing Agents ARIAD PHARMACEUTICALS, INC. (US) 2012-05-24 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
WO-1997031899-A1 SYNTHETIC DERIVATIVES OF RAPAMYCIN AS MULTIMERISING AGENTS FOR CHIMERIC PROTEINS WITH IMMUNOPHILIN DERIVED DOMAINS ARIAD GENE THERAPEUTICS, INC. (US) 1997-09-04 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 LMNA 800/4885ALDH1A1 4421/4885THRB 4232/4885
US-20120130076-A1 Synthetic Multimerizing Agents FKBP1B, FKBP2, FKBP14 LMNA 3392/4885ALDH1A1 4766/4885THRB 4506/4885
US-20040006233-A1 Synthetic multimerizing agents FKBP1B, FKBP2, FKBP14 LMNA 3381/4885ALDH1A1 4740/4885THRB 4470/4885
US-20030036654-A1 Synthetic multimerizing agents FKBP1B, FKBP2, FKBP14 LMNA 4343/4885ALDH1A1 4760/4885THRB 4291/4885

“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.