SCHEMBL2867482

SCHEMBL2867482

CCCCOC(=O)CC(O)c1cccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
TSHR P16473 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
KEAP1 Q14145 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL2869745 1.00 L3MBTL1 (0.45) L3MBTL1TSHRTDP1MEN1KMT2A
SCHEMBL2867478 1.00 L3MBTL1 (0.45) L3MBTL1TSHRTDP1MEN1KMT2A
SCHEMBL2872072 0.92 CES2 (0.40) L3MBTL1TSHRMEN1KMT2AALDH1A1
SCHEMBL2871207 0.92 CES2 (0.40) L3MBTL1TSHRMEN1KMT2AALDH1A1
SCHEMBL2871203 0.92 CES2 (0.40) L3MBTL1TSHRMEN1KMT2AALDH1A1
SCHEMBL2867866 0.85 ALDH1A1 (0.43) L3MBTL1TSHRMEN1KMT2AALDH1A1
SCHEMBL2859011 0.85 ALDH1A1 (0.43) L3MBTL1TSHRMEN1KMT2AALDH1A1
SCHEMBL2859012 0.85 ALDH1A1 (0.43) L3MBTL1TSHRMEN1KMT2AALDH1A1
SCHEMBL2865878 0.80 ALDH1A1 (0.41) L3MBTL1TSHRTDP1KMT2AALDH1A1
SCHEMBL2865884 0.80 ALDH1A1 (0.41) L3MBTL1TSHRTDP1KMT2AALDH1A1

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 L3MBTL1 4286/4885TSHR 879/4885TDP1 2600/4885

“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.