SCHEMBL12635844

SCHEMBL12635844

CC(C)(CNC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)CON(O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 8/20 0.53
▸ PPARG P37231 3/20 0.53
▸ FABP2 P12104 2/20 0.53
▸ SLC22A12 Q96S37 1/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ MAPT P10636 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ USP2 O75604 2/20 0.49
▸ POLB P06746 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ CNR1 P21554 4/20 0.48
▸ CYP1A2 P05177 3/20 0.48
▸ CYP3A4 P08684 3/20 0.48
▸ CYP2C19 P33261 3/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ LMNA P02545 2/20 0.48

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
SCHEMBL13983712 0.91 ALDH1A1 (0.45) PPARAPPARGFABP2SLC22A12SMN1; SMN2
SCHEMBL12634588 0.84 PPARA (0.55) PPARAPPARGFABP2SLC22A12SMN1; SMN2
SCHEMBL13928059 0.83 PPARA (0.51) PPARAPPARGFABP2SLC22A12SMN1; SMN2
SCHEMBL13984065 0.82 PPARA (0.53) PPARAPPARGFABP2SLC22A12SMN1; SMN2
SCHEMBL12635020 0.82 PPARA (0.56) PPARAPPARGFABP2SLC22A12SMN1; SMN2
SCHEMBL4755781 0.77 PPARA (0.66) PPARAPPARGFABP2SLC22A12SMN1; SMN2
SCHEMBL21413784 0.77 PPARA (0.62) PPARAPPARGFABP2SLC22A12SMN1; SMN2
SCHEMBL22221670 0.77 PPARA (0.62) PPARAPPARGFABP2SLC22A12SMN1; SMN2
SCHEMBL1584395 0.76 PPARA (0.60) PPARAPPARGFABP2SLC22A12SMN1; SMN2
SCHEMBL13984041 0.76 PPARA (0.45) PPARAPPARGFABP2SLC22A12SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160225-A1 COMPOSITIONS AND METHODS OF USE FOR TREATING OR PREVENTING LIPID RELATED DISORDERS IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-30 — — US disclosed
US-20090054450-A1 COMPOSITIONS AND METHODS OF USE FOR TREATING OR PREVENTING LIPID RELATED DISORDERS IRONWOOD PHARMACEUTICALS, INC. (US) 2009-02-26 — — US disclosed
WO-2008157537-A2 COMPOSITIONS AND METHODS OF USE FOR TREATING OR PREVENTING LIPID RELATED DISORDERS IRONWOOD PHARMACEUTICALS, INC (US) 2008-12-24 — — 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 (2 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-20110160225-A1 COMPOSITIONS AND METHODS OF USE FOR TREATING OR PREVENTING LIPID RELATED DISORDERS LIPC, PNLIP, LIPA PPARA 93/4885PPARG 104/4885FABP2 51/4885
US-20090054450-A1 COMPOSITIONS AND METHODS OF USE FOR TREATING OR PREVENTING LIPID RELATED DISORDERS LIPC, PNLIP, LIPA PPARA 93/4885PPARG 104/4885FABP2 51/4885

“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.

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