SCHEMBL20849986

SCHEMBL20849986

CC(C)(C)N[C@H](Cc1cccc2ccccc12)C(=O)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.50
ACE P12821 2/20 0.50
CPA1 P15085 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
MMP9 P14780 3/20 0.49
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
CTNNB1 P35222 1/20 0.47
MMP8 P22894 2/20 0.46
MMP14 P50281 1/20 0.46
HRH4 Q9H3N8 1/20 0.45
TACR1 P25103 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
MMP2 P08253 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
MTNR1A P48039 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL16501744 1.00 MME (0.50) MMEACECPA1ACE2MMP9
SCHEMBL14347510 1.00 MME (0.50) MMEACECPA1ACE2MMP9
SCHEMBL16501746 0.81 TSHR (0.40) TDP1MAPTHPGD
SCHEMBL14347555 0.80 NPC1 (0.41) KMT2A
SCHEMBL16501748 0.80 CTSS (0.46) CTSSCTSKKMT2A
SCHEMBL16501745 0.80 NPC1 (0.41) KMT2A
SCHEMBL20363277 0.80 CTNNB1 (0.51) MMEACECPA1ACE2MMP9
SCHEMBL26195433 0.79 FOLH1 (0.46) MMP9MMP8MMP2KMT2AMAPT
SCHEMBL1706739 0.78 CTNNB1 (0.50) MMEACECPA1ACE2MMP9
SCHEMBL1703307 0.78 CTNNB1 (0.50) MMEACECPA1ACE2MMP9

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-20190092808-A1 SYNTHESIS AND COMPOSITION OF RAPAFUCIN LIBRARIES THE JOHNS HOPKINS UNIVERSITY 2019-03-28 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-20190092808-A1 SYNTHESIS AND COMPOSITION OF RAPAFUCIN LIBRARIES MTOR, COASY, RICTOR MME 3578/4885ACE 3219/4885CPA1 3313/4885

“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.