SCHEMBL4558253

SCHEMBL4558253

C=CCS(=O)(=O)N1CC[C@H](O)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
JAK3 P52333 2/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CNR2 P34972 1/20 0.31
BRD4 O60885 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 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
SCHEMBL27408433 0.80 NPSR1 (0.33) NPSR1JAK2JAK1JAK3MEN1
SCHEMBL21795445 0.79 KDM4E (0.42) JAK2JAK1JAK3KCNH2HRH3
Fluorobenzene SCHEMBL27883526 0.75 KMT2A (0.40) NPSR1MEN1KMT2A
SCHEMBL3576010 0.72 TP53 (0.35) KCNH2HRH3CNR2BRD4
SCHEMBL3576015 0.72 TP53 (0.35) KCNH2HRH3CNR2BRD4
SCHEMBL5828751 0.72 TP53 (0.35) KCNH2HRH3CNR2BRD4
SCHEMBL27689051 0.71 CYP1A2 (0.40) JAK2JAK1JAK3KMT2A
SCHEMBL18914698 0.70 EPHX2 (0.38) JAK2JAK1JAK3KCNH2HRH3
SCHEMBL3313080 0.70 TP53 (0.47) NPSR1KCNH2HRH3
SCHEMBL16896689 0.70 TP53 (0.47) NPSR1KCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156831-A1 PROCESSES FOR PREPARING DARIFENACIN HYDROBROMIDE MERLI VALERIANO 2009-06-18 US disclosed
US-20080269505-A1 Processes for preparing darifenacin hydrobromide TEVA PHARMACEUTICALS USA, INC. FOR BARBADOS 2008-10-30 US disclosed
US-20080214835-A1 Processes for preparing darifenacin hydrobromide TEVA PHARMACEUTICALS USA, INC. FOR BARBADOS 2008-09-04 US disclosed
EP-1877393-A2 PROCESSES FOR PREPARING DARIFENACIN HYDROBROMIDE Teva Pharmaceutical Fine Chemicals S.R.L. (IT) 2008-01-16 EP disclosed
US-20070203221-A1 (S)-2-{1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]-3-pyrrolidinyl}-2,2-diphenylacetamide, selective muscarinic acetylcholine receptor antagonists, used for treating urogenital disorders such as incontinence TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-08-30 US disclosed
WO-2007076158-A2 PROCESSES FOR PREPARING DARIFENACIN HYDROBROMIDE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-07-05 WO 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 (4 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-20080214835-A1 Processes for preparing darifenacin hydrobromide OPRL1, AVPR2, AVPR1B NPSR1 31/4885JAK2 1845/4885JAK1 2210/4885
US-20070203221-A1 (S)-2-{1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]-3-pyrrolidinyl}-2,2-diphenylacetamide, selective muscarinic acetylcholine receptor antagonists, used for treating urogenital disorders such as incontinence CHRNE, CHRM3, CHRM2 NPSR1 156/4885JAK2 3401/4885JAK1 3534/4885
US-20080269505-A1 Processes for preparing darifenacin hydrobromide OPRL1, AVPR2, AVPR1B NPSR1 31/4885JAK2 1845/4885JAK1 2210/4885
US-20090156831-A1 PROCESSES FOR PREPARING DARIFENACIN HYDROBROMIDE OPRL1, AVPR2, AVPR1B NPSR1 31/4885JAK2 1845/4885JAK1 2210/4885

“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.