SCHEMBL22023979

SCHEMBL22023979

COc1cccc(F)c1C(C)(C)SC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ACHE P22303 3/20 0.38
BCHE P06276 2/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA4 P22748 1/20 0.37
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL8220456 0.81 NFE2L2 (0.44) NFE2L2L3MBTL1TDP1ACHEBCHE
SCHEMBL22043275 0.79 CA1 (0.37) L3MBTL1TDP1ACHEBCHECA12
SCHEMBL3102853 0.78 L3MBTL1 (0.44) NFE2L2L3MBTL1TDP1ACHEBCHE
SCHEMBL7266155 0.77 NFE2L2 (0.44) NFE2L2L3MBTL1TDP1ACHEBCHE
SCHEMBL22024139 0.76 L3MBTL1 (0.43) NFE2L2L3MBTL1TDP1ACHEBCHE
SCHEMBL21370910 0.76 TRPA1 (0.35) TDP1CA1CA2HPGDALDH1A1
SCHEMBL22023999 0.75 L3MBTL1 (0.42) NFE2L2L3MBTL1TDP1ACHEBCHE
SCHEMBL22043362 0.75 TRPA1 (0.31)
SCHEMBL10300159 0.75 TDP1 (0.34) NFE2L2L3MBTL1TDP1KMT2ASMN1; SMN2
SCHEMBL10300162 0.74 HTR2A (0.35) NFE2L2L3MBTL1TDP1KMT2ASMN1; 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-11198693-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-12-14 US disclosed
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2020-05-28 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-11198693-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF NFE2L2 1612/4885L3MBTL1 4720/4885TDP1 4189/4885
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF NFE2L2 1612/4885L3MBTL1 4720/4885TDP1 4189/4885

“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.