SCHEMBL6402090

SCHEMBL6402090

O=P(O)(O)Sc1ccc(O)cc1C(O)(O)CCCc1cccc(O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
AKR1B10 O60218 1/20 0.36
AKR1B1 P15121 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
MIF P14174 1/20 0.35
CALM1 P0DP23 1/20 0.34
IDO1 P14902 1/20 0.34
FDPS P14324 3/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 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
SCHEMBL6398622 0.93 DRD2 (0.38) MGLLAKR1B10AKR1B1DRD2DRD1
SCHEMBL6395645 0.91 MGLL (0.38) MGLLHDAC6AKR1B10AKR1B1DRD2
SCHEMBL6395040 0.89 IGF1R (0.35) MGLLAKR1B10AKR1B1FDPSCHRM2
SCHEMBL6401063 0.85 GGPS1 (0.35) DRD2DRD1TAAR1MIFIDO1
SCHEMBL6404559 0.83 IDO1 (0.39) MGLLAKR1B10AKR1B1DRD2DRD1
SCHEMBL6404210 0.82 MGLL (0.37) MGLLHDAC6AKR1B10AKR1B1DRD2
SCHEMBL6402094 0.81 MGLL (0.40) MGLLHDAC6AKR1B10AKR1B1DRD2
SCHEMBL6397380 0.81 MGLL (0.36) MGLLHDAC6AKR1B10AKR1B1DRD2
SCHEMBL6402166 0.81 ESR1 (0.34) AKR1B10AKR1B1TAAR1FDPSNR1H3
SCHEMBL6396039 0.80 MGLL (0.46) MGLLHDAC6AKR1B10AKR1B1DRD2

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-20050187195-A1 Inhibition of intestinal apical membrane Na/phosphate co-transportation in humans PEERCE BRIAN E (US) 2005-08-25 US disclosed
US-6787528-B2 THERAPY FOR KIDNEY DISEASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2004-09-07 US disclosed
US-20030162753-A1 Inhibition of intestinal apical membrane Na/phosphate co-transportation in humans BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2003-08-28 US disclosed
US-20020133036-A1 Inhibitors of intestinal apical membrane Na/phosphate co-transportation PEERCE BRIAN E (US) 2002-09-19 US disclosed
US-6355823-B1 MEMBRANE SUBSTRATE PHOSPHATED FOR DRUGS FOR GASTROINTESTINAL DISORDERS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2002-03-12 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 (3 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-20050187195-A1 Inhibition of intestinal apical membrane Na/phosphate co-transportation in humans SLC34A3, SLC34A1, SLC34A2 MGLL 3457/4885HDAC6 4653/4885AKR1B10 1004/4885
US-20020133036-A1 Inhibitors of intestinal apical membrane Na/phosphate co-transportation SLC10A2, SLC34A3, SLC34A1 MGLL 3439/4885HDAC6 4532/4885AKR1B10 1016/4885
US-20030162753-A1 Inhibition of intestinal apical membrane Na/phosphate co-transportation in humans SLC34A3, SLC34A1, SLC34A2 MGLL 3457/4885HDAC6 4653/4885AKR1B10 1004/4885

“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.