SCHEMBL4533716

SCHEMBL4533716

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RCE1 Q9Y256 1/20 0.34
S1PR1 P21453 3/20 0.33
S1PR3 Q99500 3/20 0.33
S1PR2 O95136 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
S1PR4 O95977 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA12 O43570 2/20 0.33

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
SCHEMBL4730554 0.89 MEN1 (0.44) LMNAMAPTRCE1MEN1NPC1
SCHEMBL4533176 0.88 LTB4R (0.42) LMNAMAPTALDH1A1NPC1RAB9A
SCHEMBL4528744 0.84 HPGD (0.45) LMNAMAPTALDH1A1HPGDHSD17B10
SCHEMBL4529767 0.79 TAAR1 (0.42) LMNAALDH1A1HPGDMEN1KMT2A
SCHEMBL4514375 0.77 HDAC1 (0.43) LMNAMAPTS1PR1CYP3A4CYP2C19
SCHEMBL1180759 0.76 TAAR1 (0.39) LMNAALDH1A1HPGDNPC1RAB9A
SCHEMBL4532458 0.76 L3MBTL1 (0.39) MEN1NPC1RAB9AKMT2ATDP1
SCHEMBL4524941 0.74 PTPRC (0.36) CYP3A4CYP2C9CYP2C19
SCHEMBL4519273 0.73 LTB4R (0.41) LMNAMAPTALDH1A1NPC1RAB9A
SCHEMBL4726672 0.72 TDP1 (0.46) LMNAMAPTRCE1MEN1NPC1

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-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
EP-1937656-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS BETA 2 ADRENOCEPTOR AGONISTS AstraZeneca AB (SE) 2008-07-02 EP disclosed
WO-2007027134-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS β2 ADRENOCEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-03-08 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 (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 LMNA 2207/4885MAPT 2437/4885ALDH1A1 243/4885

“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.