SCHEMBL5471502

SCHEMBL5471502

CCCOC1CCN(S(=O)(=O)Nc2cccc(CC)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.41
CHRNB2 P17787 2/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA4 P43681 2/20 0.39
CTPS1 P17812 1/20 0.34
NMT1 P30419 1/20 0.34
ACACB O00763 1/20 0.34
CCR6 P51684 1/20 0.33
SCN1A P35498 2/20 0.33
SCN8A Q9UQD0 2/20 0.33
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
PDE5A O76074 1/20 0.32
CFD P00746 1/20 0.32
KMT2A Q03164 1/20 0.32
ATR Q13535 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31

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
SCHEMBL5474733 0.86 CARM1 (0.43) HSD11B1SCN1ASCN8AKDM4EALDH1A1
SCHEMBL5481988 0.83 HSD11B1 (0.43) HSD11B1KMT2AALDH1A1LMNATSHR
SCHEMBL14581937 0.83 FPR2 (0.44) HSD11B1ACACBSCN1ASCN8AIKBKB
SCHEMBL5473662 0.83 HSD11B1 (0.41) HSD11B1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14581925 0.80 HSD11B1 (0.41) HSD11B1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14581938 0.80 HSD11B1 (0.45) HSD11B1KMT2AKDM4EALDH1A1HPGD
SCHEMBL5476488 0.80 HSD11B1 (0.40) HSD11B1CTPS1
SCHEMBL5476374 0.80 ALDH1A1 (0.46) HSD11B1KMT2AKDM4EALDH1A1HPGD
SCHEMBL5473684 0.80 ALDH1A1 (0.46) HSD11B1KMT2AKDM4EALDH1A1HPGD
SCHEMBL5471669 0.79 HSD11B1 (0.39) HSD11B1CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070027118-A1 Novel compounds of amino sulfonyl derivatives AGOURON PHARMACEUTICALS, INC 2007-02-01 US disclosed
US-20070027118-A1 Novel compounds of amino sulfonyl derivatives AGOURON PHARMACEUTICALS, INC 2007-02-01 US disclosed
US-20070027118-A1 Novel compounds of amino sulfonyl derivatives AGOURON PHARMACEUTICALS, INC 2007-02-01 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 (1 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-20070027118-A1 Novel compounds of amino sulfonyl derivatives HSD11B1, HSD11B2, HSD17B11 HSD11B1 1/4885CHRNB2 3552/4885CHRNB4 3115/4885

“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.