SCHEMBL887458

SCHEMBL887458

CC(=O)C(C(C)=O)C(NC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.51
CTSS P25774 4/20 0.51
MAPT P10636 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
GABRB1 P18505 1/20 0.45
GABRB2 P47870 1/20 0.45
ATM Q13315 1/20 0.45
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
PPARA Q07869 2/20 0.42
PPARG P37231 1/20 0.42
IDO1 P14902 1/20 0.42

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
SCHEMBL14327800 1.00 CTSK (0.51) CTSKCTSSMAPTCYP3A4CYP2C19
SCHEMBL13168624 1.00 CTSK (0.51) CTSKCTSSMAPTCYP3A4CYP2C19
SCHEMBL15355250 0.92 CYP3A4 (0.58) CTSKCTSSMAPTCYP3A4CYP2C19
SCHEMBL13208214 0.87 CTSK (0.50) CTSKCTSSMAPTGABRB1GABRB2
SCHEMBL14803932 0.87 CTSK (0.50) CTSKCTSSMAPTCYP3A4CYP2C19
SCHEMBL887419 0.87 PPARG (0.42) CTSKCTSSMAPTCYP3A4CYP2C19
SCHEMBL13079942 0.87 CTSK (0.50) CTSKCTSSMAPTGABRB1GABRB2
SCHEMBL13051340 0.87 CTSK (0.50) CTSKCTSSMAPTCYP3A4CYP2C19
SCHEMBL887428 0.85 CTSS (0.44) CTSKCTSSMAPTGABRB1GABRB2
SCHEMBL887425 0.85 CYP1A2 (0.45) CTSKCTSSMAPTCTSB

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 CTSK 4517/4885CTSS 4383/4885MAPT 1941/4885

“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.