SCHEMBL9965103

SCHEMBL9965103

CCC(=O)C(O)C(O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.56
CYP2C9 P11712 1/20 0.42
FFAR3 O14843 1/20 0.40
TP53 P04637 1/20 0.38
PDE4A P27815 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
GPR84 Q9NQS5 3/20 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
SCHEMBL9965104 0.84 TSHR (0.56) TSHRCYP2C9FFAR3TP53PDE4A
SCHEMBL8507977 0.84 TSHR (0.56) TSHRCYP2C9FFAR3TP53PDE4A
Cadaverine Tartrate SCHEMBL1468444 0.82 TSHR (0.62) TSHRCYP2C9FFAR3TP53PDE4A
Cadaverine Tartrate SCHEMBL18987140 0.82 TSHR (0.71) TSHRCYP2C9FFAR3TP53PDE4A
Cadaverine Tartrate SCHEMBL28254283 0.80 TSHR (0.59) TSHRCYP2C9FFAR3TP53PDE4A
Tartaric Acid SCHEMBL30771976 0.79 TSHR (0.67) TSHRCYP2C9FFAR3TP53PDE4A
Cadaverine Tartrate SCHEMBL2158124 0.79 TSHR (0.67) TSHRCYP2C9FFAR3TP53PDE4A
Cadaverine Tartrate SCHEMBL282045 0.79 TSHR (0.67) TSHRCYP2C9FFAR3TP53PDE4A
Cadaverine Tartrate SCHEMBL7264826 0.78 TSHR (0.56) TSHRCYP2C9FFAR3TP53PDE4A
Cadaverine Tartrate SCHEMBL27464873 0.78 TSHR (0.56) TSHRCYP2C9FFAR3TP53PDE4A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2771003-B1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF PEDIATRIC CHOLESTATIC LIVER DISEASES LUMENA PHARMACEUTICALS LLC (US) 2017-04-19 EP disclosed
US-9458192-B1 Covalent granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2016-10-04 US disclosed
US-20130059807-A1 BILE ACID RECYCLING INHIBITORS AND SATIOGENS FOR TREATMENT OF DIABETES, OBESITY, AND INFLAMMATORY GASTROINTESTINAL CONDITIONS SATIOGEN PHARMACEUTICALS, INC. (US) 2013-03-07 US disclosed
US-20130034536-A1 Bile Acid Recycling Inhibitors for Treatment of Pancreatitis Lumena Pharmaceuticals, Inc. (US) 2013-02-07 US disclosed
US-20120157399-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF OBESITY AND DIABETES SATIOGEN PHARMACEUTICALS, INC. (US) 2012-06-21 US disclosed
US-20100130472-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF OBESITY AND DIABETES SATIOGEN PHARMACEUTICALS, INC. (US) 2010-05-27 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 (4 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-20120157399-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF OBESITY AND DIABETES SLC10A1, SLC10A2, ABCB11 TSHR 1089/4885CYP2C9 1684/4885FFAR3 491/4885
US-20130059807-A1 BILE ACID RECYCLING INHIBITORS AND SATIOGENS FOR TREATMENT OF DIABETES, OBESITY, AND INFLAMMATORY GASTROINTESTINAL CONDITIONS SLC10A2, GPR119, GPBAR1 TSHR 968/4885CYP2C9 3391/4885FFAR3 166/4885
US-20130034536-A1 Bile Acid Recycling Inhibitors for Treatment of Pancreatitis SLC10A2, SLC10A1, NR1H4 TSHR 297/4885CYP2C9 4523/4885FFAR3 147/4885
US-20100130472-A1 BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF OBESITY AND DIABETES SLC10A1, SLC10A2, ABCB11 TSHR 1089/4885CYP2C9 1684/4885FFAR3 491/4885

“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.