SCHEMBL13413258

SCHEMBL13413258

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.51
CTSS P25774 3/20 0.51
CA2 P00918 3/20 0.47
CA1 P00915 2/20 0.47
CA7 P43166 2/20 0.47
PREP P48147 1/20 0.45
TRPA1 O75762 2/20 0.44
CTSL P07711 2/20 0.44
CTSB P07858 2/20 0.44
CYP2D6 P10635 1/20 0.43
PSENEN Q9NZ42 1/20 0.38
ELANE P08246 1/20 0.38
CA4 P22748 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL3053058 0.86 CTSK (0.55) CTSKCTSSCA2CA1CA7
SCHEMBL13635818 0.85 CTSK (0.57) CTSKCTSSCA2CA1CA7
SCHEMBL13602872 0.85 CTSK (0.57) CTSKCTSSCA2CA1CA7
SCHEMBL12730505 0.85 CTSK (0.57) CTSKCTSSCA2CA1CA7
SCHEMBL10192146 0.85 CTSK (0.57) CTSKCTSSCA2CA1CA7
SCHEMBL7324089 0.85 CTSK (0.57) CTSKCTSSCA2CA1CA7
SCHEMBL7324091 0.85 CTSK (0.57) CTSKCTSSCA2CA1CA7
SCHEMBL12018723 0.81 CTSK (0.50) CTSKCTSSCA2CA1CA7
Ammonia Solution, Strong SCHEMBL28313812 0.80 CTSK (0.59) CTSKCTSSCA2CA1CA7
SCHEMBL20039933 0.80 CTSK (0.49) CTSKCTSSCA2CA1CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678765-B2 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2010-03-16 US disclosed
US-20080009435-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A., A SPAIN CORPORATION 2008-01-10 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-20080009435-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them MCL1, APLNR, PAICS CTSK 3079/4885CTSS 3273/4885CA2 4013/4885

“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.