SCHEMBL5843409

SCHEMBL5843409

COC(=O)Cc1ccc(CCCN)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 3/20 0.66
CYP4F2 P78329 2/20 0.66
ALDH1A1 P00352 4/20 0.50
GAA P10253 1/20 0.50
GFER P55789 1/20 0.50
HSP90AB1 P08238 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
Hydrochloric Acid SCHEMBL5843402 0.98 CYP4A11 (0.64) CYP4A11CYP4F2ALDH1A1GAAGFER
SCHEMBL11131179 0.93 CYP4A11 (0.62) CYP4A11CYP4F2ALDH1A1GAAGFER
SCHEMBL8735781 0.89 CYP4F2 (0.70) CYP4A11CYP4F2ALDH1A1GAAGFER
SCHEMBL15586041 0.89 CYP4A11 (0.75) CYP4A11CYP4F2ALDH1A1GAAGFER
SCHEMBL11493064 0.89 CYP4A11 (0.75) CYP4A11CYP4F2ALDH1A1GAAGFER
Hydrochloric Acid SCHEMBL9335479 0.87 CYP4F2 (0.68) CYP4A11CYP4F2ALDH1A1GAAGFER
SCHEMBL15522658 0.84 CYP4A11 (0.64) CYP4A11CYP4F2ALDH1A1GAAGFER
SCHEMBL27473665 0.84 CYP4F2 (0.68) CYP4A11CYP4F2ALDH1A1GAAGFER
SCHEMBL4579418 0.84 CYP4A11 (0.79) CYP4A11CYP4F2ALDH1A1GAAGFER
SCHEMBL4113212 0.82 CYP4F2 (0.76) CYP4A11CYP4F2ALDH1A1GAAGFER

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-6992193-B2 Sulfonylamino phenylacetamide derivatives and methods of their use ADOLOR CORPORATION (US) 2006-01-31 US disclosed
US-20040254156-A1 Sulfonylamino phenylacetamide derivatives and methods of their use CALIXA THERAPEUTICS, INC. 2004-12-16 US 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-20040254156-A1 Sulfonylamino phenylacetamide derivatives and methods of their use CYP2E1, CYP2D6, CYP3A43 CYP4A11 49/4885CYP4F2 44/4885ALDH1A1 94/4885

“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.