SCHEMBL4022611

SCHEMBL4022611

Cc1ccc(S(=O)(=O)OCCCCCCCCN(C)Cc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ATM Q13315 2/20 0.51
KDM4E B2RXH2 3/20 0.50
SIGMAR1 Q99720 2/20 0.50
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
ACHE P22303 5/20 0.47
MAOB P27338 2/20 0.47
TMEM97 Q5BJF2 1/20 0.46
CNR2 P34972 1/20 0.46
MCHR1 Q99705 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL30379861 0.95 ATM (0.50) MEN1KMT2AATMKDM4ESIGMAR1
SCHEMBL4425913 0.84 CNR2 (0.54) SIGMAR1CNR2MCHR1
SCHEMBL4022604 0.82 MEN1 (0.51) MEN1KMT2AATMKDM4ESIGMAR1
SCHEMBL10375119 0.81 FKBP1A (0.50) ATMACHECNR2
SCHEMBL6586284 0.81 FKBP1A (0.50) ATMACHECNR2
SCHEMBL8483790 0.81 FKBP1A (0.50) ATMACHECNR2
SCHEMBL8484841 0.81 FKBP1A (0.50) ATMACHECNR2
SCHEMBL7459364 0.81 FKBP1A (0.50) ATMACHECNR2
SCHEMBL8483547 0.81 FKBP1A (0.50) ATMACHECNR2
SCHEMBL8484444 0.81 FKBP1A (0.50) ATMACHECNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638639-B2 Substituted pyrrolidine and related compounds THERAVANCE, INC. (US) 2009-12-29 US disclosed
US-7615566-B2 Substituted pyrrolidine and related compounds THERAVANCE, INC. (US) 2009-11-10 US disclosed
US-7524880-B2 Crystalline form of a substituted pyrrolidine compound THERAVANCE, INC. (US) 2009-04-28 US disclosed
US-20080161577-A1 Substituted pyrrolidine and related compounds THERAVANCE BIOPHARMA R&D IP, LLC 2008-07-03 US disclosed
US-20080146649-A1 Substituted pyrrolidine and related compounds THERAVANCE BIOPHARMA R&D IP, LLC 2008-06-19 US disclosed
US-7351718-B2 Substituted pyrrolidine and related compounds THERAVANCE, INC. (US) 2008-04-01 US disclosed
US-7351717-B2 Substituted pyrrolidine and related compounds THERAVANCE, INC. (US) 2008-04-01 US disclosed
US-20070135482-A1 Substituted pyrrolidine and related compounds THERAVANCE BIOPHARMA R&D IP, LLC 2007-06-14 US disclosed
US-20070078163-A1 Substituted pyrrolidine and related compounds THERAVANCE BIOPHARMA R&D IP, LLC 2007-04-05 US disclosed
US-7183292-B2 Substituted pyrrolidine and related compounds THERAVANCE, INC. (US) 2007-02-27 US disclosed
US-20050277688-A1 Crystalline form of a substituted pyrrolidine compound THERAVANCE, INC. 2005-12-15 US disclosed
US-20040254219-A1 Substituted pyrrolidine and related compounds THERAVANCE BIOPHARMA R&D IP, LLC 2004-12-16 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 (6 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-20070135482-A1 Substituted pyrrolidine and related compounds CHRM1, CHRM5, CHRM2 MEN1 1247/4885KMT2A 2879/4885ATM 3782/4885
US-20050277688-A1 Crystalline form of a substituted pyrrolidine compound PKD2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PKD1 MEN1 3023/4885KMT2A 2699/4885ATM 4523/4885
US-20080161577-A1 Substituted pyrrolidine and related compounds CHRM1, CHRM5, CHRM2 MEN1 1247/4885KMT2A 2879/4885ATM 3782/4885
US-20040254219-A1 Substituted pyrrolidine and related compounds CHRM1, CHRM5, ADRA1D MEN1 1069/4885KMT2A 3243/4885ATM 4266/4885
US-20080146649-A1 Substituted pyrrolidine and related compounds CHRM1, CHRM5, CHRM2 MEN1 1247/4885KMT2A 2879/4885ATM 3782/4885
US-20070078163-A1 Substituted pyrrolidine and related compounds CHRM1, CHRM5, CHRM2 MEN1 1247/4885KMT2A 2879/4885ATM 3782/4885

“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.