SCHEMBL2172824

SCHEMBL2172824

COC(=O)[C@H]1C[C@H](O)CC[C@@H]1C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 9/20 0.57
ERBB2 P04626 9/20 0.57
MMP2 P08253 9/20 0.57
SIGMAR1 Q99720 1/20 0.55
CTSB P07858 2/20 0.53
CTSS P25774 2/20 0.53
CTSK P43235 2/20 0.53
MMP9 P14780 5/20 0.51
SLC6A4 P31645 1/20 0.48
MAPT P10636 3/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 2/20 0.47
KMT2A Q03164 2/20 0.47
TFPI2 P48307 1/20 0.47
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.46
RAB9A P51151 1/20 0.46
SLC1A2 P43004 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL27671953 1.00 ADAM10 (0.57) ADAM10ERBB2MMP2SIGMAR1CTSB
SCHEMBL2173711 1.00 ADAM10 (0.57) ADAM10ERBB2MMP2SIGMAR1CTSB
SCHEMBL3456417 0.87 SIGMAR1 (0.60) ADAM10ERBB2MMP2SIGMAR1CTSB
SCHEMBL3457734 0.87 SIGMAR1 (0.60) ADAM10ERBB2MMP2SIGMAR1CTSB
SCHEMBL2172763 0.85 ADAM10 (0.75) ADAM10ERBB2MMP2SIGMAR1CTSB
SCHEMBL2172052 0.83 ADAM10 (0.53) ADAM10ERBB2MMP2SIGMAR1CTSB
SCHEMBL27671958 0.82 ADAM10 (0.54) ADAM10ERBB2MMP2SIGMAR1CTSB
SCHEMBL2173170 0.82 ADAM10 (0.54) ADAM10ERBB2MMP2SIGMAR1CTSB
SCHEMBL2173561 0.81 ADAM10 (0.62) ADAM10ERBB2MMP2SIGMAR1MMP9
SCHEMBL2173173 0.81 ADAM10 (0.62) ADAM10ERBB2MMP2SIGMAR1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440958-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2016-09-13 US disclosed
US-20110224189-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION 2011-09-15 US disclosed
US-7973041-B2 Antiarthritic agents; psoriasis; anticancer agents;antiallergens; metalloprotease inhibitors. INCYTE CORPORATION (US) 2011-07-05 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-20110224189-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES MMP25, MMP14, MMP9 ADAM10 25/4885ERBB2 2986/4885MMP2 4/4885

“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.