SCHEMBL6035014

SCHEMBL6035014

CN1CCN(S(=O)(=O)c2ccc(N)c(F)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
HTT P42858 2/20 0.54
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
USP2 O75604 1/20 0.53
TSHR P16473 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
RAB9A P51151 1/20 0.52
KDM4E B2RXH2 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA4 P22748 1/20 0.51
CA6 P23280 1/20 0.51
CA5A P35218 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
CA5B Q9Y2D0 1/20 0.51
VCAM1 P19320 1/20 0.51

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
SCHEMBL31347322 1.00 ATM (0.54) ATMHTTPOLBSMN1; SMN2USP2
SCHEMBL27345125 0.86 ATM (0.63) ATMHTTPOLBSMN1; SMN2USP2
SCHEMBL992863 0.86 ATM (0.58) ATMHTTPOLBSMN1; SMN2USP2
SCHEMBL6609176 0.86 CA1 (0.55) POLBTSHRKDM4ECA1CA2
SCHEMBL6034118 0.83 PKM (0.58) ATMHTTPOLBSMN1; SMN2USP2
SCHEMBL2375629 0.82 ATM (0.54) ATMHTTPOLBSMN1; SMN2USP2
SCHEMBL6034955 0.81 ATM (0.50) ATMHTTPOLBSMN1; SMN2USP2
SCHEMBL22659134 0.81 RAB9A (0.66) ATMHTTPOLBSMN1; SMN2USP2
SCHEMBL1491825 0.79 L3MBTL1 (0.72) ATMHTTUSP2TSHRL3MBTL1
SCHEMBL30005678 0.79 LMNA (0.50) HTTPOLBSMN1; SMN2TSHRCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US claimed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP claimed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 WO claimed
US-20160193206-A1 BET-PROTEIN-INHIBITING DIHYDROPYRIDOPYRAZINONES Bayer Pharma AG (DE) 2016-07-07 US disclosed
US-20160193206-A1 BET-PROTEIN-INHIBITING DIHYDROPYRIDOPYRAZINONES Bayer Pharma AG (DE) 2016-07-07 US disclosed
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US disclosed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 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-20160193206-A1 BET-PROTEIN-INHIBITING DIHYDROPYRIDOPYRAZINONES BRD4, BET1, BRDT ATM 1623/4885HTT 232/4885POLB 474/4885
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 GSK3A, GSK3B, PYGL ATM 1066/4885HTT 923/4885POLB 2675/4885

“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.