SCHEMBL6403791

SCHEMBL6403791

O=C(CCCc1ccc(O)cc1)c1ccc(O)cc1SP(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ACHE P22303 2/20 0.44
SGMS1 Q86VZ5 2/20 0.44
SGMS2 Q8NHU3 2/20 0.44
CYP19A1 P11511 2/20 0.40
DPP4 P27487 1/20 0.40
HTT P42858 1/20 0.40
ESR1 P03372 2/20 0.39
SHBG P04278 1/20 0.39
ESR2 Q92731 1/20 0.39
AKR1B10 O60218 2/20 0.39
AKR1B1 P15121 2/20 0.39
AKR1A1 P14550 1/20 0.39
CBR1 P16152 1/20 0.39
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
S1PR1 P21453 1/20 0.39

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
SCHEMBL6396960 0.92 MEN1 (0.53) MEN1KMT2AACHESGMS1SGMS2
SCHEMBL6396374 0.90 ACHE (0.44) MEN1KMT2AACHESGMS1SGMS2
SCHEMBL6397680 0.89 HDAC6 (0.43) ACHESGMS1SGMS2DPP4HTT
SCHEMBL6395927 0.83 ESR1 (0.58) MEN1KMT2AHTTESR1SHBG
SCHEMBL6397193 0.82 ACHE (0.61) MEN1KMT2AACHESGMS1SGMS2
SCHEMBL6397272 0.81 MEN1 (0.50) MEN1KMT2AACHESGMS1SGMS2
SCHEMBL6395871 0.81 ESR1 (0.44) ACHESGMS1SGMS2CYP19A1ESR1
SCHEMBL6395960 0.81 ALOX15 (0.42) MEN1KMT2AACHESGMS1SGMS2
SCHEMBL6402273 0.81 MEN1 (0.41) MEN1KMT2ACYP19A1AKR1B10AKR1B1
SCHEMBL6403797 0.80 MEN1 (0.48) MEN1KMT2AACHESGMS1SGMS2

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 2 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-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

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-20050187195-A1 Inhibition of intestinal apical membrane Na/phosphate co-transportation in humans SLC34A3, SLC34A1, SLC34A2 MEN1 1773/4885KMT2A 4852/4885ACHE 4868/4885
US-20030162753-A1 Inhibition of intestinal apical membrane Na/phosphate co-transportation in humans SLC34A3, SLC34A1, SLC34A2 MEN1 1773/4885KMT2A 4852/4885ACHE 4868/4885

“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.