SCHEMBL5196497

SCHEMBL5196497

CC(C)(C)OC(=O)C(N)(C(=O)OC(C)(C)C)c1ccc(F)cc1NCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 2/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PRSS1 P07477 2/20 0.33
TMPRSS15 P98073 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
RBP4 P02753 1/20 0.32
PKM P14618 1/20 0.32
PTGER2 P43116 2/20 0.32
CTSS P25774 2/20 0.31
CTSK P43235 2/20 0.31
TDO2 P48775 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL15670481 0.76 KCNN4 (0.40) HDAC1HDAC2
SCHEMBL5778950 0.74 ADRA1A (0.38) ALDH1A1MAPTKMT2ATDP1PKM
SCHEMBL5194744 0.72 GRM2 (0.38) HDAC1HDAC2ALDH1A1MAPTMEN1
SCHEMBL188322 0.69 MAPT (0.46) HDAC1ALDH1A1MAPTMEN1KMT2A
SCHEMBL28779611 0.68 HDAC1 (0.40) HDAC1HDAC2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL5191753 0.67 MAPT (0.38) HDAC1ALDH1A1MAPTMEN1KMT2A
SCHEMBL2891442 0.67 DGAT1 (0.37) LMNA
SCHEMBL2898661 0.67 DGAT1 (0.37) LMNA
SCHEMBL16887793 0.67 ALDH1A1 (0.61) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL9744548 0.67 CLCN2 (0.46) ALDH1A1MAPTMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232594-A1 Aromatic amide derivatives, medicinal compositions containing the same, medical uses of both KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
EP-1813603-A1 AROMATIC AMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME, MEDICAL USES OF BOTH Kissei Pharmaceutical Co., Ltd. (JP) 2007-08-01 EP 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-20070232594-A1 Aromatic amide derivatives, medicinal compositions containing the same, medical uses of both AVPR2, AVPR1A, AVPR1B HDAC1 1198/4885HDAC2 1104/4885ALDH1A1 1557/4885

“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.