SCHEMBL4629588

SCHEMBL4629588

CC(C)(C)OC(=O)c1cc(O)ccc1NCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.49
CA12 O43570 4/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA7 P43166 4/20 0.40
CA9 Q16790 4/20 0.40
CA14 Q9ULX7 4/20 0.40
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
MAPT P10636 3/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
NQO2 P16083 1/20 0.35

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
SCHEMBL6740514 0.88 EGFR (0.48) EGFRCA12CA1CA2CA7
SCHEMBL7273570 0.86 CISD2 (0.40) EGFRADRA1AADRA1BMAPTALDH1A1
SCHEMBL5778950 0.85 ADRA1A (0.38) EGFRADRA1AADRA1BMAPTALDH1A1
SCHEMBL61257 0.85 KDM4E (0.41) EGFRADRA1AADRA1BMAPTALDH1A1
SCHEMBL10776454 0.82 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL219602 0.81 ADRA1A (0.55) ADRA1AADRA1BMAPTALDH1A1MEN1
SCHEMBL7374213 0.81 MAPT (0.45) EGFRCA12CA1CA2CA7
SCHEMBL7385926 0.79 ALDH1A1 (0.41) EGFRCA1CA2ADRA1AADRA1B
SCHEMBL16168121 0.79 ALDH1A1 (0.50) EGFRCA12CA1CA2CA7
SCHEMBL9304438 0.76 PKM (0.40) CA12CA1CA2CA7CA9

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
EP-1981855-A2 SUBSTITUTED BIS-AMIDE METALLOPROTEASE INHIBITORS Alantos Pharmaceuticals Holding, Inc. (US) 2008-10-22 EP disclosed
WO-2007079199-A2 SUBSTITUTED BIS-AMIDE METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS, HOLDING, INC. (US) 2007-07-12 WO disclosed
US-20070155739-A1 Substituted bis-amide metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 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-20070155739-A1 Substituted bis-amide metalloprotease inhibitors MMP13, MMP9, ADAMTS13 EGFR 1617/4885CA12 731/4885CA1 941/4885

“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.