SCHEMBL13405015

SCHEMBL13405015

COC[C@H](CCCCO)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
SYK P43405 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CTSK P43235 9/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSS P25774 2/20 0.37
ATM Q13315 1/20 0.36
CYP2D6 P10635 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL24075383 0.95 TDP1 (0.45) TDP1SYKCA1CA2CA7
SCHEMBL5822289 0.89 CA1 (0.42) TDP1SYKCA1CA2CA7
SCHEMBL5221835 0.89 CA1 (0.42) TDP1SYKCA1CA2CA7
SCHEMBL28634143 0.89 CA1 (0.42) TDP1SYKCA1CA2CA7
SCHEMBL24075378 0.86 SYK (0.41) SYKCA1CA2CA7CTSK
SCHEMBL13040189 0.86 TDP1 (0.51) TDP1CA1CA2CA7CTSK
SCHEMBL8042680 0.86 TDP1 (0.51) TDP1CA1CA2CA7CTSK
SCHEMBL13405019 0.85 MEN1 (0.54) TDP1SYKCA1CA2MEN1
SCHEMBL16286191 0.84 MEN1 (0.59) TDP1SYKCA1CA2CA7
SCHEMBL3389057 0.84 CA1 (0.49) SYKCA1CA2CA7CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093811-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-04-15 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-20100093811-A1 HIV PROTEASE INHIBITORS PRSS1, FURIN, SERPINB1 TDP1 674/4885SYK 3736/4885CA1 2453/4885

“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.