SCHEMBL590366

SCHEMBL590366

CC(NC(=O)OC(C)(C)C)C1CO1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CTSK P43235 6/20 0.42
CTSS P25774 3/20 0.42
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BTK Q06187 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
HCRTR2 O43614 1/20 0.37

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
SCHEMBL15627222 1.00 CA1 (0.45) CA1CA2CA7CTSKCTSS
SCHEMBL14357347 1.00 CA1 (0.45) CA1CA2CA7CTSKCTSS
SCHEMBL18681520 1.00 CA1 (0.45) CA1CA2CA7CTSKCTSS
SCHEMBL7205690 0.83 CA1 (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL12653551 0.81 CA1 (0.40) CA1CA2CA7CTSKCTSS
SCHEMBL13528024 0.80 HCRTR2 (0.40) CA1CA2CA7CTSKCTSS
SCHEMBL13617288 0.79 CA1 (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL13694102 0.79 CA1 (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL6791378 0.79 CA1 (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL3469151 0.79 CA1 (0.46) CA1CA2CA7CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2017-03-30 US disclosed
EP-2146987-B1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-12-02 EP disclosed
WO-2015179441-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2015-11-26 WO disclosed
US-8114867-B2 Oxazolidinone antibiotic derivatives ACTELION PHARMACEUTICALS LTD (CH) 2012-02-14 US disclosed
US-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-03 US disclosed
EP-2146987-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-01-27 EP disclosed
WO-2008126024-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 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 (2 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-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES OXA1L, XDH, CCNY CA1 709/4885CA2 857/4885CA7 631/4885
US-20170088582-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC CA1 4337/4885CA2 4501/4885CA7 4578/4885

“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.