SCHEMBL887428

SCHEMBL887428

CC(=O)C(C(C)=O)C(NC(=O)OC(C)(C)C)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.44
CTSK P43235 4/20 0.44
AAK1 Q2M2I8 1/20 0.37
SCN9A Q15858 3/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 2/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TRPA1 O75762 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRB2 P47870 1/20 0.36
MAPT P10636 1/20 0.36
ABCB1 P08183 1/20 0.36
HTT P42858 1/20 0.35
KDM4D Q6B0I6 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
SCHEMBL887419 0.87 PPARG (0.42) CTSSCTSKLMNATSHRPPARG
SCHEMBL887425 0.86 CYP1A2 (0.45) CTSSCTSKAAK1TSHRMEN1
SCHEMBL13168624 0.85 CTSK (0.51) CTSSCTSKPPARGGABRB1GABRB2
SCHEMBL887458 0.85 CTSK (0.51) CTSSCTSKPPARGGABRB1GABRB2
SCHEMBL14327800 0.85 CTSK (0.51) CTSSCTSKPPARGGABRB1GABRB2
SCHEMBL887449 0.84 ABCB1 (0.49) CTSSCTSKLMNATSHRPPARG
SCHEMBL6439819 0.82 CTSS (0.46) CTSSCTSKAAK1SCN9ALMNA
SCHEMBL17723338 0.79 CTSS (0.46) CTSSCTSKGABRB1GABRB2MAPT
SCHEMBL10100486 0.79 SYK (0.49) CTSSCTSKPPARGMEN1KMT2A
SCHEMBL16659631 0.79 HTT (0.53) CTSSCTSKLMNAKMT2AABCB1

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-7902207-B2 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US disclosed
US-20070142639-A1 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 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-20070142639-A1 Process for production of amines SMS, CCNT1, PEAK1 CTSS 4383/4885CTSK 4517/4885AAK1 121/4885

“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.