SCHEMBL13489693

SCHEMBL13489693

CCC[C@@H](NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.58
PRTN3 P24158 2/20 0.55
ATM Q13315 1/20 0.54
ELANE P08246 2/20 0.54
TRPM8 Q7Z2W7 1/20 0.53
CTSL P07711 4/20 0.53
CTSS P25774 4/20 0.53
CTRB1 P17538 2/20 0.51
CTSB P07858 2/20 0.51

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
SCHEMBL25949256 1.00 CTSK (0.58) CTSKPRTN3ATMELANETRPM8
SCHEMBL9970532 0.89 ATM (0.54) CTSKPRTN3ATMELANETRPM8
SCHEMBL12798890 0.88 ATM (0.57) CTSKPRTN3ATMELANETRPM8
SCHEMBL13489691 0.88 ATM (0.57) CTSKPRTN3ATMELANETRPM8
SCHEMBL416706 0.86 CTSK (0.53) CTSKPRTN3ATMTRPM8CTSL
SCHEMBL15271790 0.86 CTSK (0.53) CTSKPRTN3ATMTRPM8CTSL
SCHEMBL417361 0.86 CTSK (0.53) CTSKPRTN3ATMTRPM8CTSL
SCHEMBL25465632 0.85 TRPM8 (0.66) CTSKPRTN3ATMELANETRPM8
SCHEMBL15238327 0.85 ATM (0.57) CTSKPRTN3ATMELANETRPM8
SCHEMBL2723524 0.85 ATM (0.57) CTSKPRTN3ATMELANETRPM8

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-20100047841-A1 SYNTHESIS OF DESACETOXYTUBULYSIN H AND ANALOGS THEREOF UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2010-02-25 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-20100047841-A1 SYNTHESIS OF DESACETOXYTUBULYSIN H AND ANALOGS THEREOF XDH, XPA, TPX2 CTSK 2560/4885PRTN3 785/4885ATM 2814/4885

“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.