SCHEMBL13623709

SCHEMBL13623709

COc1ccc(C[C@H](N)CSC)cc1S(N)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 6/20 0.48
ADRA1A P35348 6/20 0.48
ADRA1B P35368 6/20 0.48
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
DRD2 P14416 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
HTR2A P28223 1/20 0.48
HTR7 P34969 1/20 0.48
OPRM1 P35372 1/20 0.48
DRD3 P35462 1/20 0.48
HTR2B P41595 1/20 0.48
KCNH2 Q12809 1/20 0.48
PKM P14618 2/20 0.46
CA12 O43570 4/20 0.39
CA2 P00918 4/20 0.39
CA9 Q16790 4/20 0.39

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
Hydrochloric Acid SCHEMBL4365244 0.99 ADRA1D (0.47) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL13623712 0.86 ADRA1D (0.51) ADRA1DADRA1AADRA1BADRB2ADRB1
Hydrochloric Acid SCHEMBL9634032 0.85 ADRA1D (0.52) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL30254854 0.85 ADRA1D (0.49) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL3948856 0.83 ADRA1D (0.55) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL1412238 0.83 ADRA1D (0.55) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL13880696 0.83 ADRA1D (0.55) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL1412240 0.83 ADRA1D (0.55) ADRA1DADRA1AADRA1BADRB2ADRB1
SCHEMBL29519545 0.83 ADRA1D (0.55) ADRA1DADRA1AADRA1BADRB2ADRB1
Hydrochloric Acid SCHEMBL6684814 0.82 ADRA1D (0.54) ADRA1DADRA1AADRA1BADRB2ADRB1

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-7619116-B2 Intermediates for the synthesis of (R)-tamsulosin and of its pharmaceutically acceptable salts and process for their preparation Products Chimiques Auxiliaires Et de Synthese (FR) 2009-11-17 US disclosed
US-20070106079-A1 Novel intermediates for the synthesis of (r)-tamsulosin and of its pharmaceutically acceptable salts and process for their preparation PRODUITS CHIMIQUES AUXILIAIRES ET DE SYNTHESE (FR) 2007-05-10 US disclosed
US-20070106079-A1 Novel intermediates for the synthesis of (r)-tamsulosin and of its pharmaceutically acceptable salts and process for their preparation PRODUITS CHIMIQUES AUXILIAIRES ET DE SYNTHESE (FR) 2007-05-10 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-20070106079-A1 Novel intermediates for the synthesis of (r)-tamsulosin and of its pharmaceutically acceptable salts and process for their preparation ADRB1, AVPR2, ADRA1A ADRA1D 11/4885ADRA1A 3/4885ADRA1B 9/4885

“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.