SCHEMBL2796220

SCHEMBL2796220

Cc1nccn1CCOS(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ TSHR P16473 2/20 0.43
▸ KDM4E B2RXH2 3/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ FDPS P14324 1/20 0.40
▸ KCNH2 Q12809 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ ALOX15 P16050 1/20 0.36

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
SCHEMBL8211578 0.79 ALDH1A1 (0.44) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL5657683 0.79 ESR1 (0.56) CA12CA1CA2CA9TSHR
SCHEMBL8678546 0.78 KMT2A (0.60) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL15597370 0.77 CA12 (0.56) KMT2ACA12CA1CA2CA9
SCHEMBL754722 0.77 KMT2A (0.58) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL4779659 0.75 ALDH1A1 (0.72) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL16700935 0.75 ALDH1A1 (0.61) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL5438077 0.74 ALDH1A1 (0.59) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL13587959 0.73 ALDH1A1 (0.50) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL19794294 0.72 ALDH1A1 (0.62) ALDH1A1KMT2ACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-09-02 — — US disclosed
US-20100168197-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-07-01 — — US disclosed
EP-2129663-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2009-12-09 — — EP disclosed
CN-101379040-A Muscarinic receptor antagonists RANBAXY LAB LTD (IN) 2009-03-04 — — CN disclosed
EP-1968945-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-09-17 — — EP disclosed
WO-2008104942-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2008-09-04 — — WO disclosed
WO-2007077510-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-07-12 — — 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 (2 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-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM1 ALDH1A1 1738/4885KMT2A 3010/4885CA12 4051/4885
US-20100168197-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 ALDH1A1 1927/4885KMT2A 2852/4885CA12 1460/4885

“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.

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