SCHEMBL13613730

SCHEMBL13613730

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
CA12 O43570 5/20 0.38
CA14 Q9ULX7 5/20 0.38
CA2 P00918 3/20 0.38
CA1 P00915 2/20 0.38
SLC1A1 P43005 1/20 0.38
DGAT1 O75907 1/20 0.35
CA7 P43166 2/20 0.35
CYP2D6 P10635 1/20 0.35
CTSK P43235 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
CA9 Q16790 1/20 0.34
NOS1 P29475 2/20 0.34
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34

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
SCHEMBL19691931 1.00 TSHR (0.43) TSHRCA12CA14CA2CA1
SCHEMBL16660376 0.89 CYP2D6 (0.37) CA2CA1CA7CYP2D6CTSK
SCHEMBL15984252 0.89 CYP2D6 (0.37) CA2CA1CA7CYP2D6CTSK
SCHEMBL2616309 0.85 CA12 (0.39) TSHRCA12CA14CA2CA1
SCHEMBL265551 0.82 TSHR (0.52) TSHRCA12CA14CA2CA1
SCHEMBL16300949 0.82 TSHR (0.52) TSHRCA12CA14CA2CA1
SCHEMBL10010442 0.82 TSHR (0.36) TSHRCA12CA14SLC1A1CA7
SCHEMBL9668938 0.81 TSHR (0.43) TSHRCA12CA14CA2CA1
SCHEMBL764174 0.81 CYP1A2 (0.54) TSHRSLC1A1CYP2D6MEN1KMT2A
SCHEMBL14275181 0.81 CYP2D6 (0.40) TSHRCA12CA14CA2CA1

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-20090275727-A1 Peptide turn mimetics MIMETICA PTY LIMITED (AU) 2009-11-05 US disclosed
US-20090275727-A1 Peptide turn mimetics MIMETICA PTY LIMITED (AU) 2009-11-05 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-20090275727-A1 Peptide turn mimetics IAPP, GLP1R, VIP TSHR 382/4885CA12 2437/4885CA14 1119/4885

“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.