SCHEMBL12635846

SCHEMBL12635846

C/N=C(\N)NC(=O)C(C)(C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 7/20 0.59
▸ PPARG P37231 2/20 0.59
▸ FABP2 P12104 1/20 0.59
▸ SLC22A12 Q96S37 1/20 0.59
▸ CNR1 P21554 4/20 0.53
▸ CYP1A2 P05177 3/20 0.53
▸ CYP3A4 P08684 3/20 0.53
▸ CYP2C19 P33261 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ USP2 O75604 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ ABCB11 O95342 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ ADORA3 P0DMS8 1/20 0.53
▸ ADRB3 P13945 1/20 0.53

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
SCHEMBL13983880 0.90 PPARA (0.48) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL11260925 0.87 PPARA (0.65) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL22221537 0.81 PPARA (0.68) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL22209082 0.80 PPARA (0.70) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL12573663 0.80 PPARA (0.70) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL12634744 0.80 PPARA (0.74) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL22221524 0.79 PPARA (0.68) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL4756720 0.79 PPARA (0.60) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL13984064 0.78 PPARA (0.53) PPARAPPARGFABP2SLC22A12CNR1
SCHEMBL22221587 0.76 PPARA (0.65) PPARAPPARGFABP2SLC22A12CNR1

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 4 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
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.

Send feedback