Sugi Predict

Sugi Predict / Compounds / SCHEMBL6401064

SCHEMBL6401064

SCHEMBL6401064

CCC(c1cccc(O)c1)C(O)(O)c1c(O)cccc1P(=O)(O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 2/20 0.35
▸ HDAC2 Q92769 2/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ SLC22A1 O15245 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ HIF1A Q16665 4/20 0.35
▸ LMNA P02545 4/20 0.35
▸ GALR3 O60755 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ADRB1 P08588 2/20 0.33
▸ ADRA1A P35348 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ NFKB1 P19838 1/20 0.33

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
SCHEMBL6397187 0.89 SLC22A1 (0.34) HDAC4HDAC2HDAC8SLC22A1OPRM1
SCHEMBL6396081 0.88 ESR1 (0.35) HDAC4HDAC2HDAC8OPRM1LMNA
SCHEMBL6401986 0.84 ADRB1 (0.37) HDAC4HDAC2HDAC8SLC22A1OPRM1
SCHEMBL6401058 0.82 HDAC4 (0.33) HDAC4HDAC2HDAC8SLC22A1OPRM1
SCHEMBL6398595 0.82 INPPL1 (0.35) HDAC4HDAC2HDAC8SLC22A1OPRM1
SCHEMBL6402212 0.81 HSD17B10 (0.37) HDAC4HDAC2HDAC8SLC22A1OPRM1
SCHEMBL6402016 0.81 HSD17B10 (0.37) HDAC4HDAC2HDAC8SLC22A1OPRM1
SCHEMBL6395706 0.79 HDAC4 (0.39) HDAC4HDAC2HDAC8SLC22A1OPRM1
SCHEMBL6397576 0.77 SLC22A1 (0.33) HDAC4HDAC2HDAC8SLC22A1OPRM1
SCHEMBL6397178 0.77 SLC22A1 (0.33) HDAC4HDAC2HDAC8SLC22A1OPRM1

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 HDAC4 3531/4885HDAC2 4401/4885HDAC8 4478/4885
US-20020133036-A1 Inhibitors of intestinal apical membrane Na/phosphate co-transportation SLC10A2, SLC34A3, SLC34A1 HDAC4 3433/4885HDAC2 4287/4885HDAC8 4316/4885
US-20030162753-A1 Inhibition of intestinal apical membrane Na/phosphate co-transportation in humans SLC34A3, SLC34A1, SLC34A2 HDAC4 3531/4885HDAC2 4401/4885HDAC8 4478/4885

“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.