SCHEMBL13305643

SCHEMBL13305643

CC(N)c1ccc([SH](=O)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.50
PDE2A O00408 1/20 0.41
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
CIT O14578 1/20 0.31
GABRP O00591 2/20 0.30
GABRD O14764 2/20 0.30
GABRA1 P14867 2/20 0.30
GABRB1 P18505 2/20 0.30
GABRG2 P18507 2/20 0.30
GABRB3 P28472 2/20 0.30
GABRA5 P31644 2/20 0.30
GABRA3 P34903 2/20 0.30
GABRA2 P47869 2/20 0.30
GABRB2 P47870 2/20 0.30
GABRA4 P48169 2/20 0.30
GABRE P78334 2/20 0.30
GABRA6 Q16445 2/20 0.30
GABRG1 Q8N1C3 2/20 0.30
GABRG3 Q99928 2/20 0.30

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
SCHEMBL17524611 0.82 ADRB2 (0.46) ADRB2PDE2AROCK2ROCK1GABRP
SCHEMBL13991742 0.80 TYR (0.46)
SCHEMBL1314596 0.79 ADRB2 (0.72) ADRB2PDE2AROCK2ROCK1CIT
SCHEMBL18784066 0.76 ADRB2 (0.45) ADRB2PDE2AROCK2ROCK1CIT
SCHEMBL18784067 0.76 ADRB2 (0.45) ADRB2PDE2AROCK2ROCK1CIT
SCHEMBL18784068 0.76 ADRB2 (0.45) ADRB2PDE2AROCK2ROCK1CIT
SCHEMBL14487023 0.73 TSHR (0.47)
SCHEMBL14085594 0.72
SCHEMBL2643071 0.72 ADRB2 (0.56) ADRB2PDE2AROCK2ROCK1CIT
SCHEMBL19125152 0.71 ADRA2A (0.46) ADRB2

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
WO-2014033672-A1 USE OF A RECEPTOR KINASE HAVING LYSM MOTIFS IN ORDER TO IMPROVE THE RESPONSE OF PLANTS TO LIPOCHITOOLIGOSACCHARIDES INSTITUT NATIONAL DE LA RECHERCHE AGRONOMIQUE (FR) 2014-03-06 WO disclosed
EP-1537116-B1 PYRAZOLOPYRIMIDINES SUITABLE FOR THE TREATMENT OF CANCER DISEASES SCHERING CORP (US) 2010-06-02 EP disclosed
US-20100009950-A1 SUBSTITUTED ETHANOLAMINES AUSPEX PHARMACEUTICALS, INC. (US) 2010-01-14 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-20100009950-A1 SUBSTITUTED ETHANOLAMINES ADRA2C, ADRB2, ADRB3 ADRB2 2/4885PDE2A 201/4885ROCK2 2258/4885

“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.