SCHEMBL3945972

SCHEMBL3945972

CCC(=O)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)c(Oc3cc(Cl)cc(C#N)c3)c2F)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.40
SLC22A12 Q96S37 3/20 0.39
KCNH2 Q12809 2/20 0.39
MAPT P10636 2/20 0.37
CYP3A4 P08684 2/20 0.36
EPAS1 Q99814 2/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
VEGFA P15692 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3937009 0.94 SLC22A12 (0.39) SLC2A1SLC22A12KCNH2MAPTEPAS1
SCHEMBL3945671 0.91 SLC2A1 (0.42) SLC2A1SLC22A12KCNH2MAPTCYP3A4
SCHEMBL3941757 0.85 CA1 (0.40) SLC2A1KCNH2EPAS1LMNAALDH1A1
SCHEMBL3936271 0.84 SLC2A1 (0.42) SLC2A1SLC22A12KCNH2MAPTCYP3A4
SCHEMBL3940954 0.84 SLC2A1 (0.43) SLC2A1SLC22A12KCNH2MAPTCYP3A4
SCHEMBL3942957 0.84 KCNH2 (0.45) SLC2A1KCNH2MAPTCYP3A4LMNA
SCHEMBL3938422 0.83 CA1 (0.45) SLC22A12KCNH2
SCHEMBL3936856 0.83 CA1 (0.41) SLC2A1KCNH2EPAS1LMNAALDH1A1
Elsulfavirine SCHEMBL1344216 0.82 CA1 (0.40) SLC22A12CYP3A4CYP2C9CYP2C19
Elsulfavirine SCHEMBL1341521 0.82 CA1 (0.40) SLC22A12CYP3A4CYP2C9CYP2C19

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
EP-2046731-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. Hoffmann-Roche AG (CH) 2009-04-15 EP claimed
WO-2008009613-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-01-24 WO claimed
US-20080020981-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2008-01-24 US claimed

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-20080020981-A1 Non-nucleoside reverse transcriptase inhibitors SAMHD1, HPRT1, NQO2 SLC2A1 2799/4885SLC22A12 2351/4885KCNH2 4114/4885

“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.