SCHEMBL2877516

SCHEMBL2877516

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.39
CA2 P00918 2/20 0.38
CA12 O43570 2/20 0.38
CA14 Q9ULX7 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
CA1 P00915 2/20 0.36
CA7 P43166 2/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
AKT1 P31749 1/20 0.35
MAPK10 P53779 1/20 0.35
APLNR P35414 1/20 0.34
NPC1 O15118 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL571467 0.82 CTSK (0.40) CTSKCA2CA12CA14TDP1
SCHEMBL20159624 0.82 CTSK (0.40) CTSKCA2CA12CA14TDP1
SCHEMBL16061377 0.82 CTSK (0.40) CTSKCA2CA12CA14TDP1
SCHEMBL12571335 0.81 MAPK10 (0.41) CTSKCA2CA12CA14TDP1
SCHEMBL15096829 0.81 MAPK10 (0.41) CTSKCA2CA12CA14TDP1
SCHEMBL1933452 0.81 CTSK (0.39) CTSKCA2CA12CA14TDP1
SCHEMBL10100401 0.79 CA1 (0.40) CTSKCA2CA12CA14TDP1
SCHEMBL10776406 0.79 CA1 (0.40) CTSKCA2CA12CA14TDP1
SCHEMBL6488438 0.78 MAPK10 (0.37) CTSKCA2CA12CA14TDP1
SCHEMBL9914773 0.78 MAPK10 (0.37) CTSKCA2CA12CA14TDP1

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
US-8318795-B2 Antioxidant polymers containing [1,2]-dithiolane moieties and uses thereof CEDARS-SINAI MEDICAL CENTER (US) 2012-11-27 US disclosed
US-20100098653-A1 ANTIOXIDANT POLYMERS CONTAINING [1,2]-DITHIOLANE MOIETIES AND USES THEREOF CEDARS-SINAI MEDICAL CENTER (US) 2010-04-22 US disclosed
EP-2125775-A1 ANTIOXIDANT POLYMERS CONTAINING [1,2]-DITHIOLANE MOIETIES AND USES THEREOF Cedars-Sinai Medical Center (US) 2009-12-02 EP disclosed
WO-2008106640-A1 ANTIOXIDANT POLYMERS CONTAINING [1,2]-DITHIOLANE MOIETIES AND USES THEREOF CEDARS-SINAI MEDICAL CENTER (US) 2008-09-04 WO disclosed
US-6331552-B1 THERAPY AND PROPHYLAXIS OF INFLAMMATORY DISORDERS, FOR EXAMPLE OF RHEUMATOID ARTHRITIS, OR OF ALLERGIC DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-12-18 US 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-20100098653-A1 ANTIOXIDANT POLYMERS CONTAINING [1,2]-DITHIOLANE MOIETIES AND USES THEREOF GPX1, GPX4, LPO CTSK 2701/4885CA2 2792/4885CA12 3182/4885

“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.