SCHEMBL3210082

SCHEMBL3210082

CCN(CC)CC.O=C(NCCOP(=O)(O)O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIP5K2 O43314 1/20 0.43
EPHX1 P07099 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LPAR1 Q92633 3/20 0.40
LPAR2 Q9HBW0 3/20 0.40
ENPP2 Q13822 1/20 0.40
CA14 Q9ULX7 2/20 0.38
CA3 P07451 2/20 0.38
CA5A P35218 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL3222885 0.92 PPIP5K2 (0.40) PPIP5K2EPHX1ALDH1A1POLBSMN1; SMN2
SCHEMBL3219718 0.92 PPIP5K2 (0.40) PPIP5K2EPHX1ALDH1A1POLBSMN1; SMN2
SCHEMBL3206364 0.90 EPHX1 (0.50) PPIP5K2EPHX1ALDH1A1POLBSMN1; SMN2
SCHEMBL9186137 0.89 ALDH1A1 (0.52) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL3220120 0.89 EPHX1 (0.53) PPIP5K2EPHX1ALDH1A1POLBSMN1; SMN2
SCHEMBL3210063 0.89 EPHX1 (0.53) PPIP5K2EPHX1ALDH1A1POLBSMN1; SMN2
SCHEMBL3220758 0.89 EPHX1 (0.53) PPIP5K2EPHX1ALDH1A1POLBSMN1; SMN2
SCHEMBL12678103 0.80 SMN1; SMN2 (0.46) EPHX1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL12716923 0.77 LPAR2 (0.46) LPAR1LPAR2ENPP2CA12CA2
SCHEMBL13844923 0.76 ALDH1A1 (0.46) EPHX1ALDH1A1POLBSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120316208-A1 INHIBITORS OF UDP-GALACTOPYRANOSE MUTASE THWART MYCOBACTERIAL GROWTH NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-12-13 US disclosed
US-8273778-B2 Inhibitors of UDP-galactopyranose mutase thwart mycobacterial growth WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-09-25 US disclosed
US-20100056586-A1 INHIBITORS OF UDP-GALACTOPYRANOSE MUTASE THWART MYCOBACTERIAL GROWTH WISCONSIN ALUMNI RESEARCH FOUNDATION 2010-03-04 US disclosed
WO-2009132310-A1 INHIBITORS OF UDP-GALACTOPYRANOSE MUTASE THWART MYCOBACTERIAL GROWTH WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-10-29 WO 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-20100056586-A1 INHIBITORS OF UDP-GALACTOPYRANOSE MUTASE THWART MYCOBACTERIAL GROWTH UGDH, UGGT1, UMPS PPIP5K2 853/4885EPHX1 2589/4885ALDH1A1 408/4885
US-20120316208-A1 INHIBITORS OF UDP-GALACTOPYRANOSE MUTASE THWART MYCOBACTERIAL GROWTH UGDH, UGGT1, UMPS PPIP5K2 853/4885EPHX1 2589/4885ALDH1A1 408/4885

“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.