SCHEMBL2499493

SCHEMBL2499493

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.50
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CTSK P43235 8/20 0.39
CTSS P25774 5/20 0.39
LMNA P02545 2/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL14493059 1.00 CYP2D6 (0.50) CYP2D6CA1CA2CA7CTSK
SCHEMBL1234330 0.89 CTSK (0.43) CYP2D6CA1CA2CA7CTSK
SCHEMBL2500199 0.88 CYP2D6 (0.52) CYP2D6CA1CA2CA7CTSK
SCHEMBL10978956 0.82 CA1 (0.46) CYP2D6CA1CA2CA7CTSK
SCHEMBL13413214 0.79 CTSK (0.41) CYP2D6CA1CA2CA7CTSK
SCHEMBL9690240 0.79 CA1 (0.40) CYP2D6CA1CA2CA7CTSK
SCHEMBL3276084 0.79 ATM (0.49) CTSKCTSSCTSLCTSBKMT2A
SCHEMBL13413211 0.79 CYP2D6 (0.41) CYP2D6CA1CA2CA7CTSK
SCHEMBL2847564 0.78 PGD (0.32)
SCHEMBL1155333 0.77

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-8030279-B2 Tamandarin analogs and fragments thereof and methods of making and using THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-10-04 US disclosed
US-8030279-B2 Tamandarin analogs and fragments thereof and methods of making and using THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-10-04 US disclosed
US-20070149446-A1 Tamandarin analogs and fragments thereof and methods of making and using THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA CENTER FOR TECHNOLOGY TRANSFER (US) 2007-06-28 US disclosed
US-20070149446-A1 Tamandarin analogs and fragments thereof and methods of making and using THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA CENTER FOR TECHNOLOGY TRANSFER (US) 2007-06-28 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-20070149446-A1 Tamandarin analogs and fragments thereof and methods of making and using FOXM1, F3, RB1 CYP2D6 1875/4885CA1 3440/4885CA2 3845/4885

“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.