SCHEMBL419253

SCHEMBL419253

CCOC(=O)c1cc(F)ccc1S(=O)(=O)CCCC(=O)N1CCc2ccc(OC)cc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 1/20 0.41
MAPT P10636 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NOTUM Q6P988 2/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
TP53 P04637 2/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
XIAP P98170 1/20 0.36

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
SCHEMBL418447 0.82 BIRC2 (0.41) BIRC2MAPTNPC1RAB9AMAPK1
SCHEMBL417648 0.81 BIRC2 (0.40) BIRC2MAPTNPC1RAB9AMAPK1
SCHEMBL2484791 0.79 MAPT (0.41) BIRC2MAPTNPC1RAB9AMAPK1
SCHEMBL412375 0.77 MAPT (0.52) BIRC2MAPTNPC1RAB9AMAPK1
SCHEMBL2486917 0.77 MAPT (0.39) BIRC2MAPTNPC1RAB9AMAPK1
SCHEMBL413397 0.74 RAB9A (0.46) BIRC2MAPTNPC1RAB9AMAPK1
SCHEMBL417755 0.73 BIRC2 (0.44) BIRC2MAPTNPC1RAB9AMAPK1
SCHEMBL416132 0.72 MAPT (0.41) BIRC2MAPTNPC1RAB9AMAPK1
SCHEMBL416024 0.71 BIRC2 (0.55) BIRC2MAPTNPC1RAB9AMAPK1
SCHEMBL30911987 0.71 BIRC2 (0.54) BIRC2MAPTNPC1RAB9AMAPK1

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
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 BIRC2 941/4885MAPT 3216/4885NPC1 76/4885

“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.