SCHEMBL1950223

SCHEMBL1950223

CCCCNC(=O)CN(Cc1cccc(I)c1)C(=O)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.49
CTSS P25774 1/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
GAA P10253 2/20 0.45
ALDH1A1 P00352 2/20 0.45
REN P00797 2/20 0.44
HPGD P15428 3/20 0.44
CNR2 P34972 1/20 0.43
TRPV1 Q8NER1 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGES O14684 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3663868 0.83 HDAC1 (0.45) CTSLCTSSHDAC1HDAC6GAA
SCHEMBL3663870 0.83 HDAC1 (0.45) HDAC1HDAC6GAAALDH1A1REN
SCHEMBL1949617 0.82 CTSL (0.44) CTSLCTSSHDAC1GAAALDH1A1
SCHEMBL1947892 0.78 FFAR1 (0.43) HDAC1HDAC6GAAALDH1A1LTB4R2
SCHEMBL3668767 0.77 HDAC1 (0.46) HDAC1HDAC6GAAALDH1A1REN
SCHEMBL3668769 0.77 HDAC1 (0.46) HDAC1HDAC6GAAALDH1A1REN
SCHEMBL2036620 0.72 HPGD (0.73) GAAALDH1A1HPGDCNR2TRPV1
SCHEMBL3911700 0.72 GRIN2D (0.52) CTSLCTSSHDAC1HDAC6GAA
SCHEMBL2874308 0.70 POLB (0.54)
SCHEMBL10032155 0.69 CNR2 (0.73) HDAC1HDAC6ALDH1A1RENCNR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110136877-A1 2-PHENYL PHENOXYACETIC ACIDS USEFUL FOR TREATING INFLAMMATORY DISORDERS LIGAND PHARMACEUTICALS INC. (US) 2011-06-09 US disclosed
US-20110136877-A1 2-PHENYL PHENOXYACETIC ACIDS USEFUL FOR TREATING INFLAMMATORY DISORDERS LIGAND PHARMACEUTICALS INC. (US) 2011-06-09 US disclosed
US-20110136877-A1 2-PHENYL PHENOXYACETIC ACIDS USEFUL FOR TREATING INFLAMMATORY DISORDERS LIGAND PHARMACEUTICALS INC. (US) 2011-06-09 US disclosed
EP-2240434-A1 2-PHENYL PHENOXYACETIC ACIDS USEFUL FOR TREATING INFLAMMATORY DISORDERS Ligand Pharmaceuticals Inc. (US) 2010-10-20 EP disclosed
WO-2009089192-A1 2-PHENYL PHENOXYACETIC ACIDS USEFUL FOR TREATING INFLAMMATORY DISORDERS LIGAND PHARMACEUTICALS INC. (US) 2009-07-16 WO disclosed
WO-2009089192-A1 2-PHENYL PHENOXYACETIC ACIDS USEFUL FOR TREATING INFLAMMATORY DISORDERS LIGAND PHARMACEUTICALS INC. (US) 2009-07-16 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 (1 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-20110136877-A1 2-PHENYL PHENOXYACETIC ACIDS USEFUL FOR TREATING INFLAMMATORY DISORDERS HCAR2, PAH, PTGES2 CTSL 728/4885CTSS 1637/4885HDAC1 2203/4885

“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.