SCHEMBL417648

SCHEMBL417648

CCOC(=O)c1cc(F)ccc1[S+]([O-])CCCC(=O)N1CCc2ccc(OC)cc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 2/20 0.40
MAPT P10636 4/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
MAPK1 P28482 1/20 0.38
NOTUM Q6P988 2/20 0.38
TSHR P16473 1/20 0.37
XIAP P98170 2/20 0.36
KMT2A Q03164 1/20 0.36
HTR2C P28335 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35

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) BIRC2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL419253 0.81 BIRC2 (0.41) BIRC2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL2484791 0.78 MAPT (0.41) BIRC2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL412375 0.77 MAPT (0.52) BIRC2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL2486917 0.76 MAPT (0.39) BIRC2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL413397 0.74 RAB9A (0.46) BIRC2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL417755 0.72 BIRC2 (0.44) BIRC2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL416024 0.71 BIRC2 (0.55) BIRC2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL30911987 0.70 BIRC2 (0.54) BIRC2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL30912010 0.69 NOTUM (0.57) BIRC2MAPTRAB9ASMN1; SMN2NPC1

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 3216/4885RAB9A 646/4885

“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.