SCHEMBL3339842

SCHEMBL3339842

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
ELANE P08246 2/20 0.52
PRTN3 P24158 1/20 0.52
CASP1 P29466 6/20 0.51
CTSL P07711 3/20 0.51
CTSS P25774 3/20 0.51
CASP3 P42574 1/20 0.51
CTSK P43235 4/20 0.50
CTSB P07858 2/20 0.50
CTRB1 P17538 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL3338883 1.00 ATM (0.52) ATMELANEPRTN3CASP1CTSL
SCHEMBL3274393 1.00 ATM (0.52) ATMELANEPRTN3CASP1CTSL
SCHEMBL2493028 0.90 ABCB1 (0.54) ATMELANEPRTN3CASP1CTSL
SCHEMBL19615929 0.90 ELANE (0.53) ATMELANEPRTN3CTSLCTSS
SCHEMBL19615632 0.90 ELANE (0.53) ATMELANEPRTN3CTSLCTSS
SCHEMBL19615631 0.90 ELANE (0.53) ATMELANEPRTN3CTSLCTSS
SCHEMBL13303244 0.87 CTSL (0.48) ATMELANEPRTN3CASP1CTSL
SCHEMBL2391974 0.87 CTSL (0.48) ATMELANEPRTN3CASP1CTSL
SCHEMBL12906609 0.87 ATM (0.61) ATMELANEPRTN3CTSLCTSS
SCHEMBL10387100 0.86 ATM (0.54) ATMELANECASP1CTSLCTSS

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
US-8592452-B2 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
US-20100152236-A1 Cyclic amine compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-17 US disclosed
EP-1911743-A1 CYCLIC AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 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-20100152236-A1 Cyclic amine compound AR, FSHR, NR5A1 ATM 290/4885ELANE 4304/4885PRTN3 3278/4885

“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.