SCHEMBL1806550

SCHEMBL1806550

CN(CCCCN)S(N)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.48
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA14 Q9ULX7 3/20 0.36
NFKB1 P19838 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
APP P05067 1/20 0.32
DNM1 Q05193 4/20 0.32
CA3 P07451 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA5A P35218 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 2/20 0.32
BLM P54132 1/20 0.32
GMNN O75496 1/20 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
SCHEMBL26552915 0.82
SCHEMBL291781 0.81 CA2 (0.46) CA12CA1CA2CA14DNM1
SCHEMBL291433 0.79 DNM1 (0.48) CA12CA1CA2CA14DNM1
SCHEMBL8646114 0.79 DNM1 (0.48) CA12CA1CA2CA14DNM1
SCHEMBL2887901 0.79 DNM1 (0.48) CA12CA1CA2CA14DNM1
SCHEMBL8944291 0.79 DNM1 (0.48) CA12CA1CA2CA14DNM1
SCHEMBL293641 0.78 CA2 (0.48) CA12CA1CA2CA14TDP1
SCHEMBL2853054 0.76 CA2 (0.36) CA12CA1CA2CA14
SCHEMBL10319555 0.75
SCHEMBL12466002 0.73 CHRM2 (0.39) CHRM2TDP1APPLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2310396-B1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS JANSSEN SCIENCES IRELAND UC (IE) 2017-09-06 EP disclosed
US-9427440-B2 Macrocyclic indole derivatives useful as hepatitis C virus inhibitors JANSSEN SCIENCES IRELAND UC (IE) 2016-08-30 US disclosed
US-8921355-B2 Macrocyclic indole derivatives useful as hepatitis C virus inhibitors JANSSEN R & D IRELAND (IE) 2014-12-30 US disclosed
US-20140107101-A1 Macrocyclic Indole Derivatives Useful as Hepatitis C Virus Inhibitors JANSSEN R&D IRELAND (IL) 2014-04-17 US disclosed
US-20110105473-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-05-05 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-20110105473-A1 MACROCYCLIC INDOLE DERIVATIVES USEFUL AS HEPATITIS C VIRUS INHIBITORS IDO1, HCCS, CCNI CHRM2 432/4885CA12 4551/4885CA1 4180/4885
US-20140107101-A1 Macrocyclic Indole Derivatives Useful as Hepatitis C Virus Inhibitors IDO1, HCCS, CCNI CHRM2 432/4885CA12 4551/4885CA1 4180/4885

“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.