SCHEMBL2188473

SCHEMBL2188473

CC(CCN1CCCC1)N(C)C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
OPRK1 P41145 4/20 0.48
CCR5 P51681 5/20 0.47
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ATM Q13315 1/20 0.44
ABCB1 P08183 1/20 0.44

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
SCHEMBL2249421 0.99 CTSK (0.48) CTSKCTSLCTSBCTSSSIGMAR1
SCHEMBL32678478 0.80 ABCB1 (0.50) CTSKCTSLCTSBCTSSSIGMAR1
SCHEMBL32678476 0.80 ABCB1 (0.50) CTSKCTSLCTSBCTSSSIGMAR1
SCHEMBL32678475 0.80 ABCB1 (0.50) CTSKCTSLCTSBCTSSSIGMAR1
SCHEMBL3242475 0.80 SIGMAR1 (0.48) CTSKCTSLCTSBCTSSSIGMAR1
SCHEMBL19754815 0.79 ABCB1 (0.49) CTSKCTSLCTSBCTSSABCB1
SCHEMBL4283767 0.79 HRH3 (0.56) SIGMAR1HTTKDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL5654749 0.78 SLC1A1 (0.47) CTSKCTSLCTSBCTSSABCB1
SCHEMBL18944040 0.77 ABCB1 (0.59) SIGMAR1OPRK1ABCB1
SCHEMBL19357462 0.77 ABCB1 (0.52) CTSKCTSLCTSBCTSSSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2341886-B1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NOVABAY PHARMACEUTICALS INC (US) 2015-08-26 EP disclosed
US-8278482-B2 Antimicrobial N-chlorinated compositions NOVABAY PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
EP-2341886-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NovaBay Pharmaceuticals, Inc. (US) 2011-07-13 EP disclosed
US-20100158818-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NOVABAY PHARMACEUTICALS, INC. 2010-06-24 US disclosed
WO-2010054269-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NOVABAY PHARMACEUTICALS, INC. (US) 2010-05-14 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-20100158818-A1 ANTIMICROBIAL N-CHLORINATED COMPOSITIONS NRDC, NHERF1, MPO CTSK 776/4885CTSL 438/4885CTSB 844/4885

“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.