SCHEMBL16441166

SCHEMBL16441166

CCCC(CCC)CNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.68
▸ TP53 P04637 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ GRM5 P41594 1/20 0.52
▸ HCRTR1 O43613 1/20 0.48
▸ HCRTR2 O43614 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ PTGER1 P34995 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ THRB P10828 1/20 0.44
▸ LMNA P02545 3/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.44
▸ KEAP1 Q14145 1/20 0.43
▸ NFE2L2 Q16236 1/20 0.43
▸ RORC P51449 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL18883304 0.88 MAPT (0.80) MAPTTP53POLBGRM5HCRTR1
SCHEMBL18888491 0.83 MAPT (0.71) MAPTTP53POLBGRM5HCRTR1
SCHEMBL15228617 0.83 MAPT (0.82) MAPTTP53POLBGRM5KDM4E
SCHEMBL15228309 0.83 MAPT (0.82) MAPTTP53POLBGRM5HCRTR1
SCHEMBL29353512 0.83 MAPT (0.82) MAPTTP53POLBGRM5KDM4E
SCHEMBL16429075 0.82 MAPT (0.80) MAPTTP53POLBGRM5HCRTR1
SCHEMBL18883299 0.80 MAPT (0.77) MAPTTP53POLBGRM5HCRTR1
SCHEMBL15228394 0.80 MAPT (0.70) MAPTTP53POLBGRM5HCRTR1
SCHEMBL15244857 0.79 MAPT (0.73) MAPTTP53POLBGRM5HCRTR1
SCHEMBL18883294 0.79 MAPT (0.72) MAPTTP53POLBGRM5PTGER1

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-9657013-B2 Inhibitors of hepatitis B virus covalently closed circular DNA formation and their method of use BARUCH S. BLUMBERG INSTITUTE (US) 2017-05-23 — — US disclosed
US-20150038515-A1 INHIBITORS OF HEPATITIS B VIRUS CONVALENTLY CLOSED CIRCULAR DNA FORMATION AND THEIR METHOD OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-02-05 — — 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 (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-20150038515-A1 INHIBITORS OF HEPATITIS B VIRUS CONVALENTLY CLOSED CIRCULAR DNA FORMATION AND THEIR METHOD OF USE HAVCR2, PCNA, DNMT1 MAPT 1882/4885TP53 250/4885POLB 5/4885

“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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