SCHEMBL16770389

SCHEMBL16770389

CCCN(CCN(C)CO)S(=O)(=O)c1cccc(C(=O)Nc2cc(F)c(F)c(F)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.55
▸ MAPT P10636 3/20 0.55
▸ TSHR P16473 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ LMNA P02545 4/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ RAB9A P51151 3/20 0.50
▸ CA12 O43570 7/20 0.48
▸ CA9 Q16790 7/20 0.48
▸ CA1 P00915 5/20 0.48
▸ POLB P06746 2/20 0.48
▸ HTT P42858 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ APEX1 P27695 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.43

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
SCHEMBL21844936 0.92 ALDH1A1 (0.63) ALDH1A1MAPTTSHRGAAMAPK1
SCHEMBL15076466 0.83 SMN1; SMN2 (0.64) ALDH1A1MAPTTSHRGAAMAPK1
SCHEMBL15076462 0.81 MEN1 (0.54) ALDH1A1MAPTTSHRGAAMAPK1
SCHEMBL15076310 0.79 MEN1 (0.52) ALDH1A1MAPTTSHRGAAMAPK1
SCHEMBL19631119 0.78 MAPT (0.57) ALDH1A1MAPTTSHRGAAMAPK1
SCHEMBL15276968 0.77 LMNA (0.52) ALDH1A1MAPTTSHRLMNASMN1; SMN2
SCHEMBL15838864 0.76 MAPT (0.67) ALDH1A1MAPTTSHRGAAMAPK1
SCHEMBL15836165 0.76 MEN1 (0.53) ALDH1A1MAPTTSHRLMNASMN1; SMN2
SCHEMBL15276969 0.75 LMNA (0.50) ALDH1A1MAPTTSHRLMNASMN1; SMN2
SCHEMBL15076675 0.75 MEN1 (0.50) ALDH1A1MAPTTSHRLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751857-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2017-09-05 — — US disclosed
US-20150152073-A1 Hepatitis B Antiviral Agents NOVIRA THERAPEUTICS, INC. 2015-06-04 — — 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-20150152073-A1 Hepatitis B Antiviral Agents HAVCR2, EIF2AK2, IRF3 ALDH1A1 1564/4885MAPT 4607/4885TSHR 4028/4885

“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.

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