SCHEMBL2173972

SCHEMBL2173972

C[C@@]1(C(=O)N2CCN(c3ccccc3)CC2)[C@@H](C(=O)NO)C[C@H](Oc2cccc(C(F)(F)F)c2)CN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
LMNA P02545 7/20 0.41
HTT P42858 3/20 0.41
ENPP2 Q13822 3/20 0.41
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 3/20 0.39
POLB P06746 2/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
CCR2 P41597 1/20 0.39
CCR5 P51681 1/20 0.39
HPGD P15428 1/20 0.39
ADAM10 O14672 3/20 0.39
ERBB2 P04626 3/20 0.39

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
SCHEMBL2172932 0.90 HRH3 (0.40) ENPP2ADAM10ERBB2MMP2MMP3
SCHEMBL2174042 0.90 ADAM10 (0.44) LMNAALDH1A1ADAM10ERBB2MMP2
SCHEMBL2174561 0.90 EPHX2 (0.40) EPHX2MAPTGAAKDM4EALDH1A1
SCHEMBL2174462 0.90 ADAM10 (0.40) LMNAALDH1A1ADAM10ERBB2MMP2
SCHEMBL2174887 0.90 EPHX2 (0.40) EPHX2LMNAHTTMAPTALDH1A1
SCHEMBL2172655 0.89 NR1H4 (0.41) EPHX2LMNAENPP2MAPTALDH1A1
SCHEMBL2173957 0.88 ADAM10 (0.41) LMNAALDH1A1ALOX15ADAM10ERBB2
SCHEMBL2172738 0.87 ADAM10 (0.40) LMNAALDH1A1ADAM10ERBB2MMP2
SCHEMBL2172616 0.86 ADAM10 (0.41) LMNAHTTALDH1A1SMN1; SMN2TSHR
SCHEMBL2176698 0.85 MALT1 (0.40) LMNAALDH1A1ADAM10ERBB2MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224189-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION 2011-09-15 US claimed
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION 2005-05-26 US claimed
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 EPHX2 334/4885LMNA 2321/4885HTT 1826/4885
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases MMP25, MMP2, MMP14 EPHX2 403/4885LMNA 2198/4885HTT 1990/4885

“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.