SCHEMBL1950353

SCHEMBL1950353

CNN(CC=O)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.35
CTSK P43235 4/20 0.34
CA14 Q9ULX7 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CNR2 P34972 1/20 0.32
DGAT1 O75907 1/20 0.31
AKT1 P31749 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
EPHX1 P07099 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA7 P43166 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL4758704 0.84 HDAC6 (0.34) HDAC6CTSKCA14HDAC1HDAC2
SCHEMBL15669149 0.79 CA14 (0.36) HDAC6CTSKCA14HDAC1HDAC2
SCHEMBL3311643 0.77 TDP1 (0.47) HDAC6CTSKCA14HDAC1HDAC2
Hydrochloric Acid SCHEMBL27875284 0.77 CA14 (0.35) HDAC6CA14HDAC1HDAC2DGAT1
SCHEMBL4693101 0.76 HDAC6 (0.39) HDAC6CTSKCA14HDAC1HDAC2
SCHEMBL111602 0.76 CA14 (0.40) HDAC6CTSKCA14HDAC1HDAC2
SCHEMBL28360617 0.76 CA14 (0.45) HDAC6CTSKCA14HDAC1HDAC2
SCHEMBL25828122 0.75 CNR2 (0.46) HDAC6CTSKCA14HDAC1HDAC2
SCHEMBL499275 0.75 HDAC6 (0.38) HDAC6CTSKCA14HDAC1HDAC2
SCHEMBL5765810 0.73 HDAC6 (0.37) HDAC6CTSKCA14HDAC1HDAC2

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-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

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 HDAC6 1743/4885CTSK 1504/4885CA14 2196/4885

“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.