SCHEMBL21152616

SCHEMBL21152616

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.40
MMP1 P03956 5/20 0.40
MMP3 P08254 5/20 0.40
TNF P01375 1/20 0.40
ADAM17 P78536 1/20 0.40
MME P08473 4/20 0.39
ALDH1A1 P00352 2/20 0.36
MMP9 P14780 4/20 0.35
MMP8 P22894 3/20 0.35
MMP13 P45452 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
FPR2 P25090 1/20 0.33
KISS1R Q969F8 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL19786581 0.81 ALDH1A1 (0.41) MMP2MMP1MMP3MMEALDH1A1
SCHEMBL19575792 0.81 ALDH1A1 (0.41) MMP2MMP1MMP3MMEALDH1A1
SCHEMBL24591967 0.80 MMP1 (0.43) MMP2MMP1MMP3TNFADAM17
SCHEMBL684796 0.75 ALDH1A1 (0.42) MMP2MMP1MMP3ALDH1A1MMP9
SCHEMBL12401342 0.75 ALDH1A1 (0.62) MMP2MMP1MMP3ADAM17ALDH1A1
SCHEMBL684233 0.75 ALDH1A1 (0.42) MMP2MMP1MMP3ALDH1A1MMP9
SCHEMBL13223906 0.73 CTSL (0.44) ALDH1A1CTSLCTSBCTSSCTSK
SCHEMBL13223901 0.73 CTSL (0.44) ALDH1A1CTSLCTSBCTSSCTSK
SCHEMBL13034061 0.72 CTSL (0.36) MMP2MMP1MMP3ALDH1A1MMP9
SCHEMBL12191402 0.71 ALDH1A1 (0.41) MMP2MMP1MMP3ALDH1A1MMP9

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-20190209702-A1 STEROIDS AND ANTIBODY-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. 2019-07-11 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-20190209702-A1 STEROIDS AND ANTIBODY-CONJUGATES THEREOF SERPINA6, NR3C1, NR3C2 MMP2 3878/4885MMP1 3724/4885MMP3 2441/4885

“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.