SCHEMBL3276084

SCHEMBL3276084

CC(C)[C@H](NC(=O)OCc1ccccc1)C(CC(=O)O)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
ELANE P08246 2/20 0.44
CASP3 P42574 1/20 0.44
CASP1 P29466 3/20 0.43
CTSK P43235 3/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
SYK P43405 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PRTN3 P24158 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
SCHEMBL2392482 0.90 ATM (0.46) ATMELANECTSKCTSLCTSB
SCHEMBL2492793 0.85 ATM (0.49) ATMELANECASP3CASP1CTSK
SCHEMBL3646006 0.85 SYK (0.47) ATMCASP3CASP1CTSKCTSL
SCHEMBL2392485 0.80 ATM (0.47) ATMELANECTSKCTSLCTSB
SCHEMBL18157219 0.80 ATM (0.53) ATMELANECTSKCTSLCTSB
SCHEMBL30550771 0.79 ATM (0.50) ATMELANECTSKCTSLCTSB
SCHEMBL25907516 0.79 ATM (0.50) ATMELANECTSKCTSLCTSB
SCHEMBL2499493 0.79 CYP2D6 (0.50) ATMCTSKCTSLCTSBCTSS
SCHEMBL14493059 0.79 CYP2D6 (0.50) ATMCTSKCTSLCTSBCTSS
SCHEMBL12906609 0.78 ATM (0.61) ATMELANECTSKCTSLCTSB

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-2098507-B1 Cyclic amine compound as androgen receptor modulator TAKEDA PHARMACEUTICAL (JP) 2014-11-12 EP disclosed
US-20100087506-A1 CYCLIC AMINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-2098507-A1 CYCLIC AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-09-09 EP 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-20100087506-A1 CYCLIC AMINE COMPOUND AR, FSHR, NR5A1 ATM 1092/4885ELANE 4303/4885CASP3 3875/4885

“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.