SCHEMBL6402009

SCHEMBL6402009

CCC(c1cccc(O)c1)C(O)(O)c1cc(O)ccc1SP(=O)(O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.35
CYP2C9 P11712 1/20 0.35
SLC22A1 O15245 1/20 0.34
OPRM1 P35372 1/20 0.34
HIF1A Q16665 3/20 0.33
LMNA P02545 3/20 0.33
GALR3 O60755 1/20 0.33
ADRB1 P08588 2/20 0.32
ADRA1A P35348 2/20 0.32
ADRB2 P07550 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRB3 P13945 1/20 0.32
TSHR P16473 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
NFKB1 P19838 1/20 0.32
DRD1 P21728 1/20 0.32
HTR7 P34969 1/20 0.32
ADRA1B P35368 1/20 0.32

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
SCHEMBL6402206 0.91 HSD17B10 (0.35) HSD17B10CYP2C9SLC22A1OPRM1HIF1A
SCHEMBL6397348 0.89 CYP2C9 (0.37) HSD17B10CYP2C9OPRM1LMNAADRA1A
SCHEMBL6399924 0.84 ADRB1 (0.35) HSD17B10SLC22A1OPRM1HIF1ALMNA
SCHEMBL6401058 0.83 HDAC4 (0.33) HSD17B10CYP2C9SLC22A1OPRM1HIF1A
SCHEMBL6402016 0.82 HSD17B10 (0.37) HSD17B10CYP2C9SLC22A1OPRM1HIF1A
SCHEMBL6397178 0.82 SLC22A1 (0.33) HSD17B10CYP2C9SLC22A1OPRM1HIF1A
SCHEMBL6396928 0.80 CYP2C9 (0.37) HSD17B10CYP2C9OPRM1LMNAADRA1A
SCHEMBL6402212 0.80 HSD17B10 (0.37) HSD17B10CYP2C9SLC22A1OPRM1HIF1A
SCHEMBL6404183 0.79 HSD17B10 (0.35) HSD17B10CYP2C9SLC22A1OPRM1HIF1A
SCHEMBL6397651 0.79 ADRB1 (0.33) SLC22A1OPRM1HIF1ALMNAGALR3

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 HSD17B10 1059/4885CYP2C9 863/4885SLC22A1 50/4885
US-20020133036-A1 Inhibitors of intestinal apical membrane Na/phosphate co-transportation SLC10A2, SLC34A3, SLC34A1 HSD17B10 1170/4885CYP2C9 1103/4885SLC22A1 50/4885
US-20030162753-A1 Inhibition of intestinal apical membrane Na/phosphate co-transportation in humans SLC34A3, SLC34A1, SLC34A2 HSD17B10 1059/4885CYP2C9 863/4885SLC22A1 50/4885

“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.