SCHEMBL2866024

SCHEMBL2866024

CC(C)OC(=O)C[C@@H](O)c1cccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALOX5 P09917 1/20 0.42
ALDH1A1 P00352 4/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
HPGD P15428 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
KEAP1 Q14145 1/20 0.41
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTR1A P08908 1/20 0.36
GLA P06280 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL2874009 1.00 TSHR (0.42) TSHRALOX5ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2866029 1.00 TSHR (0.42) TSHRALOX5ALDH1A1RAB9ASMN1; SMN2
SCHEMBL8846116 0.88 TSHR (0.39) TSHRALOX5ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2871139 0.84 CES2 (0.44) TSHRALOX5ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2871143 0.84 CES2 (0.44) TSHRALOX5ALDH1A1RAB9ASMN1; SMN2
SCHEMBL97784 0.84 CES2 (0.44) TSHRALOX5ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2865878 0.82 ALDH1A1 (0.41) TSHRALOX5ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2872056 0.82 ALDH1A1 (0.41) TSHRALOX5ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2865884 0.82 ALDH1A1 (0.41) TSHRALOX5ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2859011 0.81 ALDH1A1 (0.43) TSHRALOX5ALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659409-B2 3-Hydroxy-3-(2-thienyl) propionamides and production method thereof, and production method of 3-amino-1-(2-thienyl)-1-propanols using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2010-02-09 US disclosed
US-20050107621-A1 3-Hydroxy-3-(2-thienyl) propionamides and production method thereof, and production method of 3-amino-1-(2-thienyl)-1-propanols using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2005-05-19 US disclosed
EP-1486493-A1 3-HYDROXY-3-(2-THIENYL)PROPIONAMIDE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING 3-AMINO-1-(2-THIENYL)-1-PROPANOL COMPOUND THEREFROM Mitsubishi Chemical Corporation (JP) 2004-12-15 EP 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 (1 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-20050107621-A1 3-Hydroxy-3-(2-thienyl) propionamides and production method thereof, and production method of 3-amino-1-(2-thienyl)-1-propanols using the same APEH, AADAC, KMO TSHR 879/4885ALOX5 286/4885ALDH1A1 174/4885

“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.