SCHEMBL2176964

SCHEMBL2176964

COC(=O)[C@H]1C[C@H](OCc2cccnc2)CC[C@@H]1C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 6/20 0.44
ERBB2 P04626 6/20 0.44
MMP2 P08253 6/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
MMP9 P14780 4/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 2/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL3457634 0.92 SIGMAR1 (0.45) ADAM10ERBB2MMP2CTSBCTSS
SCHEMBL2173799 0.90 ADAM10 (0.56) ADAM10ERBB2MMP2CTSBCTSS
SCHEMBL3457591 0.81 ADAM10 (0.64) ADAM10ERBB2MMP2CTSBCTSS
SCHEMBL3457594 0.81 ADAM10 (0.64) ADAM10ERBB2MMP2CTSBCTSS
SCHEMBL2171702 0.81 ADAM10 (0.64) ADAM10ERBB2MMP2CTSBCTSS
SCHEMBL2176970 0.78 CHRM2 (0.42) CHRM2CHRM1CHRM3TP53LMNA
SCHEMBL2172052 0.78 ADAM10 (0.53) ADAM10ERBB2MMP2CTSBCTSS
SCHEMBL2173711 0.75 ADAM10 (0.57) ADAM10ERBB2MMP2CTSBCTSS
SCHEMBL2172824 0.75 ADAM10 (0.57) ADAM10ERBB2MMP2CTSBCTSS
SCHEMBL27671953 0.75 ADAM10 (0.57) ADAM10ERBB2MMP2CTSBCTSS

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 5 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
US-7491724-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2009-02-17 US disclosed
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION 2005-05-26 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 (2 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
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases MMP25, MMP2, MMP14 ADAM10 26/4885ERBB2 3036/4885MMP2 2/4885

“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.