SCHEMBL2045171

SCHEMBL2045171

[CH2]CCCc1ccccc1S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A2 P23975 1/20 0.38
MPO P05164 1/20 0.36
CTSB P07858 1/20 0.34
LOX P28300 1/20 0.34
DRD2 P14416 1/20 0.33
MGLL Q99685 1/20 0.33
BCAT2 O15382 1/20 0.33
NR3C1 P04150 1/20 0.33
P2RX7 Q99572 1/20 0.33
NQO2 P16083 1/20 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
SCHEMBL7145103 0.89 ADRA1D (0.39) ADRA1DADRA1AADRA1BMEN1CYP1A2
SCHEMBL10180158 0.83 ADRA1D (0.42) ADRA1DADRA1AADRA1BMEN1CYP1A2
SCHEMBL5663968 0.81 ADRA1D (0.41) ADRA1DADRA1AADRA1BMEN1CYP1A2
SCHEMBL2542665 0.80 MEN1 (0.41) ADRA1DADRA1AADRA1BMEN1CYP1A2
SCHEMBL10181521 0.79 DRD2 (0.42) ADRA1DADRA1AADRA1BMEN1CYP1A2
SCHEMBL3063791 0.78 NSD2 (0.42) MEN1KMT2A
SCHEMBL8337031 0.77 TAAR1 (0.50) ADRA1DADRA1AADRA1BMEN1CYP1A2
SCHEMBL17848762 0.77 MEN1 (0.42) ADRA1DADRA1AADRA1BMEN1CYP1A2
SCHEMBL7623115 0.77 MEN1 (0.42) ADRA1DADRA1AADRA1BMEN1CYP1A2
SCHEMBL27961328 0.77 ADRA1D (0.39) ADRA1DADRA1AADRA1BMEN1CYP1A2

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-7956182-B2 Process for preparing optically active alcohols KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2011-06-07 US disclosed
US-20090062527-A1 Process for Preparing Optically Active Alcohols KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2009-03-05 US disclosed
EP-1988071-A1 METHOD OF PRODUCING OPTICALLY ACTIVE ALCOHOL Kotobuki Pharmaceutical Co., Ltd. (JP) 2008-11-05 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-20090062527-A1 Process for Preparing Optically Active Alcohols ADH1C, ADH1A, ADH5 ADRA1D 56/4885ADRA1A 162/4885ADRA1B 106/4885

“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.