SCHEMBL16987207

SCHEMBL16987207

CC(C)C(C(=O)P(=O)(O)O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.40
MMP8 P22894 4/20 0.40
MMP2 P08253 4/20 0.40
CA2 P00918 3/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
MMP9 P14780 1/20 0.40
LAP3 P28838 1/20 0.38
MMP3 P08254 2/20 0.34

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
SCHEMBL2990208 0.79 MMP2 (0.42) MMP1MMP8MMP2CA2CA12
SCHEMBL8383247 0.78 MMP2 (0.46) MMP1MMP8MMP2CA2CA12
SCHEMBL3469330 0.75
SCHEMBL2916525 0.73 MMP2 (0.42) MMP1MMP8MMP2CA2CA12
SCHEMBL23488140 0.72 MMP1 (0.37) MMP1MMP8MMP2CA2CA12
SCHEMBL7643526 0.72 LAP3 (0.52) MMP1MMP8MMP2CA2CA12
SCHEMBL7643520 0.72 LAP3 (0.52) MMP1MMP8MMP2CA2CA12
SCHEMBL22856775 0.72 MMP1 (0.37) MMP1MMP8MMP2CA2CA12
SCHEMBL28434436 0.71
SCHEMBL28434433 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9930893-B2 Inhibitors of DXP synthase and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2018-04-03 US disclosed
US-20150225430-A1 INHIBITORS OF DXP SYNTHASE AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-13 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-20150225430-A1 INHIBITORS OF DXP SYNTHASE AND METHODS OF USE THEREOF DHPS, FDPS, DPYD MMP1 873/4885MMP8 1036/4885MMP2 1129/4885

“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.