SCHEMBL3210063

SCHEMBL3210063

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LPAR3 Q9UBY5 6/20 0.45
LPAR2 Q9HBW0 5/20 0.45
LPAR1 Q92633 4/20 0.45
S1PR1 P21453 7/20 0.44
S1PR3 Q99500 7/20 0.44
S1PR2 O95136 6/20 0.44
S1PR5 Q9H228 4/20 0.44
CA14 Q9ULX7 2/20 0.44
CA12 O43570 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44

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
SCHEMBL3220758 1.00 EPHX1 (0.53) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL3220120 1.00 EPHX1 (0.53) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL3206364 0.99 EPHX1 (0.50) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL3210082 0.89 PPIP5K2 (0.43) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL3219718 0.84 PPIP5K2 (0.40) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL3222885 0.84 PPIP5K2 (0.40) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL14299161 0.81 MEN1 (0.59) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL2098393 0.79 ALDH1A1 (0.62) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL10138076 0.78 ALDH1A1 (0.60) EPHX1MEN1KMT2AALDH1A1POLB
SCHEMBL9186137 0.77 ALDH1A1 (0.52) EPHX1MEN1KMT2AALDH1A1POLB

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 3 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

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 EPHX1 2589/4885MEN1 3321/4885KMT2A 3592/4885
US-20120316208-A1 INHIBITORS OF UDP-GALACTOPYRANOSE MUTASE THWART MYCOBACTERIAL GROWTH UGDH, UGGT1, UMPS EPHX1 2589/4885MEN1 3321/4885KMT2A 3592/4885

“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.