SCHEMBL4367393

SCHEMBL4367393

COc1ccc(C[C@@H](CSC)NC(C)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.56
LDHA P00338 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
KMT2A Q03164 1/20 0.44
FPR2 P25090 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL4356408 0.85 ACACB (0.58) ACACBLDHASMN1; SMN2ALDH1A1HTT
SCHEMBL14370510 0.85 ACACB (0.58) ACACBLDHASMN1; SMN2ALDH1A1HTT
SCHEMBL14534148 0.84 ACACB (0.57) ACACBLDHASMN1; SMN2
SCHEMBL5481870 0.84 ACACB (0.57) ACACBLDHASMN1; SMN2ALDH1A1FPR2
SCHEMBL4358254 0.84 ACACB (0.57) ACACBLDHASMN1; SMN2ALDH1A1FPR2
SCHEMBL14534150 0.84 ACACB (0.68) ACACBLDHASMN1; SMN2ALDH1A1HTT
SCHEMBL13953675 0.82 ACACB (0.55) ACACBLDHA
SCHEMBL21496803 0.81 ACACB (0.54) ACACBLDHASMN1; SMN2ALDH1A1KMT2A
SCHEMBL21496808 0.81 ACACB (0.54) ACACBLDHASMN1; SMN2ALDH1A1KMT2A
SCHEMBL19569846 0.80 ACACB (0.53) ACACBLDHASMN1; SMN2ALDH1A1

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 4 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
EP-1697316-B1 NOVEL INTERMEDIATES FOR THE SYNTHESIS OF (R)-TAMSULOSIN AND OF ITS PHARMACEUTICALLY ACCEPTABLE SALTS AND PROCESS FOR THEIR PREPARATION PROD CHIM AUXILIAIRES ET DE SY (FR) 2008-10-08 EP 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 ACACB 3915/4885LDHA 3340/4885SMN1; SMN2 3928/4885

“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.