SCHEMBL16059261

SCHEMBL16059261

CC1CCCCN1S(=O)(=O)c1cc[c]cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.68
PSEN2 P49810 1/20 0.68
APH1B Q8WW43 1/20 0.68
NCSTN Q92542 1/20 0.68
APH1A Q96BI3 1/20 0.68
PSENEN Q9NZ42 1/20 0.68
AKR1C3 P42330 8/20 0.59
LMNA P02545 2/20 0.59
KMT2A Q03164 2/20 0.56
HSD11B1 P28845 1/20 0.56
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL3116741 0.83 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30436847 0.83 PSEN1 (0.75) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23043835 0.81 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22501644 0.81 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5249658 0.81 PSEN1 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14547463 0.81 PSEN1 (0.73) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16059567 0.81 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL31379985 0.80 PSEN1 (0.71) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14132261 0.79 PSEN1 (0.74) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16254914 0.79 PSEN1 (0.69) PSEN1PSEN2APH1BNCSTNAPH1A

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-20170273954-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE UNIVERSITY OF CHICAGO (US) 2017-09-28 US claimed
US-9675592-B2 Methods and compositions for bacteria infections THE UNIVERSITY OF CHICAGO (US) 2017-06-13 US claimed
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF ILLINOIS (US) 2016-05-05 US claimed
EP-2969003-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS The University of Chicago (US) 2016-01-20 EP claimed
WO-2014144710-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE UNIVERSITY OF CHICAGO (US) 2014-09-18 WO claimed
US-20170273954-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE UNIVERSITY OF CHICAGO (US) 2017-09-28 US disclosed
US-9675592-B2 Methods and compositions for bacteria infections THE UNIVERSITY OF CHICAGO (US) 2017-06-13 US disclosed
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS THE BOARD OF REGENTS OF THE UNIVERSITY OF ILLINOIS (US) 2016-05-05 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 (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-20170273954-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR PSEN1 671/4885PSEN2 696/4885APH1B 420/4885
US-20160120852-A1 METHODS AND COMPOSITIONS FOR BACTERIA INFECTIONS SPOUT1, OXA1L, VSIR PSEN1 671/4885PSEN2 696/4885APH1B 420/4885

“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.