SCHEMBL10022356

SCHEMBL10022356

CC(C)c1ccc(Oc2ccccc2S(C)(=O)=O)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CASP1 P29466 2/20 0.38
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NR1H3 Q13133 1/20 0.35
EDNRA P25101 1/20 0.35
HTR2C P28335 2/20 0.35
HRH3 Q9Y5N1 1/20 0.34
KEAP1 Q14145 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
SCHEMBL16168677 0.81 PTGS1 (0.45) ADRA2AADRA2BADRA2CALOX5APFEN1
SCHEMBL13890801 0.79 HRH3 (0.43) ADRA2AADRA2BADRA2CALOX5APFEN1
SCHEMBL13875927 0.76 EPHX2 (0.44) HPGDKMT2AMEN1NR1H3HRH3
SCHEMBL10022361 0.73 MAP4K4 (0.45) ADRA2AADRA2BALDH1A1HPGDSMN1; SMN2
SCHEMBL13561341 0.72 KEAP1 (0.64) ALDH1A1HPGDSMN1; SMN2LMNATSHR
SCHEMBL2624395 0.72 ACACB (0.48) ALDH1A1HPGDHTTL3MBTL1KMT2A
SCHEMBL18033534 0.72 GRM5 (0.43) ALDH1A1TSHRMAPT
SCHEMBL13876356 0.72 GRM5 (0.50) ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL13657728 0.71 HTR2C (0.42) ALDH1A1HPGDSMN1; SMN2L3MBTL1KMT2A
SCHEMBL16232700 0.69 ACACB (0.44) ALDH1A1L3MBTL1KMT2AMEN1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 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-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA ADRA2A 1381/4885ADRA2B 1167/4885ADRA2C 1138/4885

“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.