SCHEMBL2174637

SCHEMBL2174637

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM10 O14672 9/20 0.55
MMP2 P08253 9/20 0.55
ERBB2 P04626 8/20 0.55
MMP9 P14780 6/20 0.55
CTSB P07858 3/20 0.50
CTSS P25774 3/20 0.50
CTSK P43235 3/20 0.50
SIGMAR1 Q99720 1/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL27671982 1.00 ADAM10 (0.55) ADAM10MMP2ERBB2MMP9CTSB
SCHEMBL2173705 1.00 ADAM10 (0.55) ADAM10MMP2ERBB2MMP9CTSB
SCHEMBL3458222 0.88 ADAM10 (0.57) ADAM10MMP2ERBB2MMP9CTSB
SCHEMBL3457848 0.88 ADAM10 (0.57) ADAM10MMP2ERBB2MMP9CTSB
Trifluoroacetic Acid SCHEMBL2177021 0.81 ADAM10 (0.67) ADAM10MMP2ERBB2MMP9CTSB
SCHEMBL2173414 0.81 ADAM10 (0.53) ADAM10MMP2ERBB2MMP9CTSB
SCHEMBL2172824 0.78 ADAM10 (0.57) ADAM10MMP2ERBB2MMP9CTSB
SCHEMBL2173711 0.78 ADAM10 (0.57) ADAM10MMP2ERBB2MMP9CTSB
SCHEMBL27671953 0.78 ADAM10 (0.57) ADAM10MMP2ERBB2MMP9CTSB
SCHEMBL2173170 0.76 ADAM10 (0.54) ADAM10MMP2ERBB2MMP9CTSB

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 25/4885MMP2 4/4885ERBB2 2986/4885
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases MMP25, MMP2, MMP14 ADAM10 26/4885MMP2 2/4885ERBB2 3036/4885

“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.