SCHEMBL13154403

SCHEMBL13154403

CCC1CCCN1S(=O)(=O)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.44
PSEN2 P49810 2/20 0.44
APH1B Q8WW43 2/20 0.44
NCSTN Q92542 2/20 0.44
APH1A Q96BI3 2/20 0.44
PSENEN Q9NZ42 2/20 0.44
TSHR P16473 3/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MCOLN3 Q8TDD5 2/20 0.40
MAPT P10636 3/20 0.36
POLB P06746 2/20 0.36
PKM P14618 1/20 0.36
THRB P10828 1/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL13154400 0.95 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13154409 0.89 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5216032 0.85 FEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24843815 0.84 SLC6A9 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14271724 0.84 L3MBTL1 (0.43) KMT2APOLBMEN1L3MBTL1EPHX2
SCHEMBL14271725 0.84 L3MBTL1 (0.43) KMT2APOLBMEN1L3MBTL1EPHX2
SCHEMBL5219457 0.84 L3MBTL1 (0.43) KMT2APOLBMEN1L3MBTL1EPHX2
SCHEMBL5223107 0.80 CASP3 (0.33) KMT2AMEN1
SCHEMBL13237412 0.79 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14525470 0.79 TSHR (0.53) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338608-B2 Inhibitors of ion channels ICAGEN INC. (US) 2012-12-25 US disclosed
US-20100234343-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2010-09-16 US disclosed
US-7705158-B2 Inhibitors of ion channels ICAGEN, INC. (US) 2010-04-27 US disclosed
US-20070135493-A1 INHIBITORS OF ION CHANNELS ICAGEN (US) 2007-06-14 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-20100234343-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 PSEN1 1374/4885PSEN2 1187/4885APH1B 2570/4885
US-20070135493-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 PSEN1 1374/4885PSEN2 1187/4885APH1B 2570/4885

“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.