SCHEMBL887438

SCHEMBL887438

CC(=O)C(C(C)=O)C(NC(=O)OC(C)(C)C)c1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.40
CTSK P43235 3/20 0.40
ATM Q13315 1/20 0.40
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
MAPT P10636 1/20 0.38
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
IDO1 P14902 1/20 0.37
ACE P12821 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL887437 0.83 CTSS (0.46) CTSSCTSKATMMAPTNPC1
SCHEMBL10100475 0.81 SYK (0.50) CTSSCTSKATMCTSLCTSB
SCHEMBL13168624 0.81 CTSK (0.51) CTSSCTSKATMCTSLCTSB
SCHEMBL887458 0.81 CTSK (0.51) CTSSCTSKATMCTSLCTSB
SCHEMBL14327800 0.81 CTSK (0.51) CTSSCTSKATMCTSLCTSB
SCHEMBL15289107 0.80 GABRB1 (0.42) CTSSCTSKATMCTSLCTSB
SCHEMBL13168658 0.77 NPC1 (0.52) CTSSCTSKATMCTSLCTSB
SCHEMBL25238924 0.77 CTSS (0.50) CTSSCTSKATMCTSLCTSB
SCHEMBL15270603 0.77 CTSS (0.47) CTSSCTSKATMCTSLCTSB
SCHEMBL15270465 0.77 CTSS (0.50) CTSSCTSKATMCTSLCTSB

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 4517/4885ATM 579/4885

“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.