SCHEMBL4189375

SCHEMBL4189375

C=Cc1ccc(OC(CC)(CC)P(=O)(O)O)c(N)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.35
APP P05067 2/20 0.33
HDAC2 Q92769 3/20 0.33
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TUBB1 Q9H4B7 3/20 0.32
TUBB4A P04350 2/20 0.32
TUBB P07437 2/20 0.32
TUBA3C P0DPH7 2/20 0.32
TUBA1B P68363 2/20 0.32
TUBA4A P68366 2/20 0.32
TUBB4B P68371 2/20 0.32
TUBB3 Q13509 2/20 0.32
TUBB2A Q13885 2/20 0.32
TUBB8 Q3ZCM7 2/20 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
SCHEMBL4133743 0.80 GRIN2D (0.41) SMN1; SMN2TUBB1TUBB4ATUBBTUBA3C
SCHEMBL4125891 0.78 ALDH1A1 (0.50) RAB9ASMN1; SMN2HSD17B10ALDH1A1MCL1
SCHEMBL4802602 0.78 MAPT (0.42) NPC1USP2RAB9ASMN1; SMN2HSD17B10
SCHEMBL4133431 0.78 GAA (0.38) NPC1USP2RAB9ASMN1; SMN2HSD17B10
SCHEMBL4189369 0.70 USP2 (0.38) TRPA1APPNPC1USP2RAB9A
SCHEMBL4129613 0.69 MAPT (0.38) RAB9ASMN1; SMN2ALDH1A1
SCHEMBL357217 0.69 APP (0.62) TRPA1APPTUBB1TUBB4ATUBB
SCHEMBL4135402 0.69 POLB (0.33)
SCHEMBL4144143 0.68 ALDH3A1 (0.47) SMN1; SMN2TUBB1TUBB4ATUBBTUBA3C
SCHEMBL17008455 0.64 TAS1R3 (0.42) ALDH1A1TDP1TAS1R3TAS1R1

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-20090197836-A1 Combination of FBPase Inhibitors and Antidiabetic Agents Useful for the Treatment of Diabetes VAN POELJE PAUL D 2009-08-06 US disclosed
US-7563774-B2 Combination of FBPase inhibitors and antidiabetic agents useful for the treatment of diabetes METABASIS THERAPEUTICS, INC. (US) 2009-07-21 US disclosed
EP-1372660-A2 A COMBINATION OF FBPASE INHIBITORS AND ANTIDIABETIC AGENTS USEFUL FOR THE TREATMENT OF DIABETES Metabasis Therapeutics, Inc. (US) 2004-01-02 EP disclosed
US-20030073728-A1 Combination of FBPase inhibitors and antidiabetic agents useful for the treatment of diabetes METABASIS THERAPEUTICS, INC. 2003-04-17 US disclosed
WO-2002003978-A2 A COMBINATION OF FBPase INHIBITORS AND ANTIDIABETIC AGENTS USEFUL FOR THE TREATMENT OF DIABETES METABASIS THERAPEUTICS, INC. (US) 2002-01-17 WO 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-20030073728-A1 Combination of FBPase inhibitors and antidiabetic agents useful for the treatment of diabetes FBP1, ALDOA, G6PC1 TRPA1 4873/4885APP 4704/4885HDAC2 1479/4885
US-20090197836-A1 Combination of FBPase Inhibitors and Antidiabetic Agents Useful for the Treatment of Diabetes FBP1, ALDOA, G6PC1 TRPA1 4873/4885APP 4704/4885HDAC2 1479/4885

“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.