Sugi Predict

Sugi Predict / Compounds / SCHEMBL2870539

SCHEMBL2870539

SCHEMBL2870539

CC(=O)N1CCC(CO)(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 1/20 0.43
▸ CYP4A11 Q02928 1/20 0.43
▸ CTSL P07711 2/20 0.34
▸ CTSD P07339 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ PPIA P62937 1/20 0.34
▸ NPFFR1 Q9GZQ6 1/20 0.33
▸ NPFFR2 Q9Y5X5 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ PIK3R1 P27986 5/20 0.32
▸ PIK3CA P42336 5/20 0.32
▸ CACNA1H O95180 1/20 0.32

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
SCHEMBL1003155 0.88 USP2 (0.44) TSHREPHX2PIK3R1PIK3CAPIK3CD
SCHEMBL23011175 0.85 DRD2 (0.36) CTSLCTSDCTSBCTSSPPIA
SCHEMBL56916 0.84 TDP1 (0.41) CTSLPPIATDP1DRD2MEN1
SCHEMBL12975304 0.83 CYP4F2 (0.38) CYP4F2CYP4A11CTSLCTSDCTSB
SCHEMBL23120825 0.83 CYP4F2 (0.39) CYP4F2CYP4A11CTSLCTSDCTSB
SCHEMBL1368840 0.81 P2RX7 (0.40) CTSLPPIATDP1MEN1KMT2A
SCHEMBL5521873 0.81 P2RX7 (0.42) CTSLPPIATDP1MEN1KMT2A
SCHEMBL16887631 0.80 CYP4F2 (0.40) CYP4F2CYP4A11CTSLTDP1MEN1
SCHEMBL21626615 0.80 GFER (0.35) CTSBCTSSPPIANPFFR1NPFFR2
SCHEMBL12975362 0.80 P2RX7 (0.44) CTSLPPIATDP1MEN1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120965-B1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS INC (US) 2014-11-05 — — EP disclosed
EP-2120965-B1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS INC (US) 2014-11-05 — — EP disclosed
US-8415497-B2 N-halogenated amino compounds and derivatives NOVABAY PHARMACEUTICALS, INC. (US) 2013-04-09 — — US disclosed
US-8415497-B2 N-halogenated amino compounds and derivatives NOVABAY PHARMACEUTICALS, INC. (US) 2013-04-09 — — US disclosed
US-8415497-B2 N-halogenated amino compounds and derivatives NOVABAY PHARMACEUTICALS, INC. (US) 2013-04-09 — — US disclosed
US-20100311791-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS, INC. 2010-12-09 — — US disclosed
US-20100311791-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS, INC. 2010-12-09 — — US disclosed
US-20100311791-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS, INC. 2010-12-09 — — US disclosed
WO-2008083347-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS, INC. (US) 2008-07-10 — — WO 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-20100311791-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES DCTD, DDC, DAO CYP4F2 2052/4885CYP4A11 4304/4885CTSL 543/4885

“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.