SCHEMBL19786581

SCHEMBL19786581

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
MMP2 P08253 3/20 0.38
MMP9 P14780 3/20 0.38
MMP8 P22894 3/20 0.38
ANPEP P15144 2/20 0.38
MAPT P10636 1/20 0.37
MME P08473 3/20 0.37
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP13 P45452 1/20 0.36
FPR2 P25090 1/20 0.36
BIRC2 Q13490 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
SCHEMBL19575792 1.00 ALDH1A1 (0.41) ALDH1A1MEN1LMNAKMT2ACTSL
SCHEMBL684233 0.82 ALDH1A1 (0.42) ALDH1A1MEN1LMNAKMT2ACTSL
SCHEMBL684796 0.82 ALDH1A1 (0.42) ALDH1A1MEN1LMNAKMT2ACTSL
SCHEMBL12401342 0.82 ALDH1A1 (0.62) ALDH1A1MEN1LMNAKMT2ACTSL
SCHEMBL21152616 0.81 MMP2 (0.40) ALDH1A1MEN1LMNAKMT2ACTSL
SCHEMBL20023297 0.81 ACE (0.32)
SCHEMBL13223901 0.79 CTSL (0.44) ALDH1A1MEN1LMNAKMT2ACTSL
SCHEMBL13223906 0.79 CTSL (0.44) ALDH1A1MEN1LMNAKMT2ACTSL
SCHEMBL13034061 0.79 CTSL (0.36) ALDH1A1CTSLCTSBCTSSCTSK
SCHEMBL15851259 0.78 ALDH1A1 (0.50) ALDH1A1MEN1LMNAKMT2AMMP2

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-20180016245-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME EyePoint Pharmaceuticals, Inc. 2018-01-18 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-20180016245-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME ICAM1, VCAM1, VIPR2 ALDH1A1 1389/4885MEN1 999/4885LMNA 900/4885

“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.