SCHEMBL384990

SCHEMBL384990

CC[C@H](/C=C/C(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 18/20 0.48
CTSS P25774 4/20 0.46
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41

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
SCHEMBL9102463 1.00 CTSK (0.48) CTSKCTSSCA1CA2CA7
SCHEMBL384008 1.00 CTSK (0.48) CTSKCTSSCA1CA2CA7
SCHEMBL9943895 1.00 CTSK (0.48) CTSKCTSSCA1CA2CA7
SCHEMBL15797176 1.00 CTSK (0.48) CTSKCTSSCA1CA2CA7
SCHEMBL9100876 0.89 KMT2A (0.46) CTSKCTSSCA1CA2CA7
SCHEMBL9100869 0.89 KMT2A (0.46) CTSKCTSSCA1CA2CA7
SCHEMBL2546240 0.88 CTSK (0.48) CTSKCTSS
SCHEMBL5468267 0.88 CTSK (0.48) CTSKCTSS
SCHEMBL10270529 0.86 CTSK (0.47) CTSKCTSSCA1CA2CA7
SCHEMBL9106760 0.86 CTSK (0.47) CTSKCTSSCA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101588-B2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-01-24 US disclosed
EP-2289893-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2011-03-02 EP disclosed
US-7723340-B2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2010-05-25 US disclosed
US-20060287344-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith PHARMACOPEIA, LLC 2006-12-21 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-20060287344-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith TPMT, MGMT, HPRT1 CTSK 4836/4885CTSS 4823/4885CA1 3051/4885

“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.