SCHEMBL4528744

SCHEMBL4528744

CCc1ccc(CCN(CCCSCCO)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
CYP4A11 Q02928 2/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 1/20 0.36
CYP4F2 P78329 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
RCE1 Q9Y256 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
RARB P10826 1/20 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
SCHEMBL4726672 0.89 TDP1 (0.46) LMNAMAPTRCE1MEN1NPC1
SCHEMBL4519273 0.87 LTB4R (0.41) LMNAMAPTALDH1A1LTB4R2NPC1
SCHEMBL4533716 0.84 LMNA (0.35) HPGDLMNAMAPTALDH1A1HSD17B10
SCHEMBL8989751 0.80 TDP1 (0.43) HPGDLMNAALDH1A1HSD17B10KMT2A
SCHEMBL4512792 0.78 TAAR1 (0.43) HPGDLMNAALDH1A1MEN1KMT2A
SCHEMBL4522949 0.75 KMT2A (0.48) LMNAMAPTMEN1KMT2ATDP1
SCHEMBL1181113 0.75 TAAR1 (0.41) NPC1RAB9A
SCHEMBL4524217 0.75 L3MBTL1 (0.41) MEN1NPC1RAB9AKMT2ATDP1
SCHEMBL4524801 0.73 PTPRC (0.38) TMEM97SIGMAR1
SCHEMBL4533176 0.73 LTB4R (0.42) LMNAMAPTALDH1A1LTB4R2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221653-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2009-09-03 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 (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-20090221653-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ADRB2, ADRB1, ADRA2C HPGD 1116/4885LMNA 2207/4885MAPT 2437/4885

“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.