SCHEMBL2770489

SCHEMBL2770489

O=C(O)COc1cccc(CCCc2cccnc2)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.62
PPARG P37231 1/20 0.62
TBXAS1 P24557 7/20 0.56
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA4 P22748 2/20 0.52
CA9 Q16790 2/20 0.52
PTGIR P43119 2/20 0.50
PTGER2 P43116 1/20 0.50
PTGDR2 Q9Y5Y4 3/20 0.49
LMNA P02545 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
MAPK1 P28482 1/20 0.47

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
SCHEMBL2769715 0.84 PPARA (0.74) PPARAPPARGPTGIRPTGDR2LMNA
SCHEMBL2789633 0.83 PPARA (0.49) PPARAPPARGTBXAS1PTGER2
SCHEMBL2770487 0.83 LMNA (0.49) PPARAPPARGTBXAS1CA12CA1
SCHEMBL8803111 0.81 TBXAS1 (0.55) PPARAPPARGTBXAS1PTGIR
SCHEMBL3169110 0.80 PPARA (0.72) PPARAPPARGPTGIRPTGDR2LMNA
SCHEMBL9539550 0.80 PTGDR2 (0.47) PPARAPPARGCA12CA1CA2
SCHEMBL11085739 0.80 FFAR1 (0.59) CA12CA1CA2CA4CA9
SCHEMBL8803291 0.80 TBXAS1 (0.54) PPARAPPARGTBXAS1PTGIR
SCHEMBL8803293 0.80 TBXAS1 (0.54) PPARAPPARGTBXAS1PTGIR
SCHEMBL3165681 0.79 PPARA (0.70) PPARAPPARGPTGIRPTGDR2LMNA

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 9 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

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 PPARA 4812/4885PPARG 4748/4885TBXAS1 1416/4885
US-20120130076-A1 Synthetic Multimerizing Agents FKBP1B, FKBP2, FKBP14 PPARA 4156/4885PPARG 3704/4885TBXAS1 4072/4885
US-20040006233-A1 Synthetic multimerizing agents FKBP1B, FKBP2, FKBP14 PPARA 4253/4885PPARG 3830/4885TBXAS1 4046/4885
US-20030036654-A1 Synthetic multimerizing agents FKBP1B, FKBP2, FKBP14 PPARA 4414/4885PPARG 3958/4885TBXAS1 3917/4885

“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.