SCHEMBL3890217

SCHEMBL3890217

Oc1ccc(F)cc1SCC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
NPC1 O15118 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ERCC1 P07992 1/20 0.37
ERCC4 Q92889 1/20 0.37
KMT2A Q03164 1/20 0.36
GSTP1 P09211 1/20 0.36
GSTM2 P28161 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
GLA P06280 1/20 0.34
HTR2C P28335 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
AR P10275 1/20 0.33
ANO1 Q5XXA6 1/20 0.33
CYP1A2 P05177 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
SCHEMBL80348 0.77 ALDH1A1 (0.43) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL77546 0.75 KMT2A (0.40) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL1710658 0.75 RAB9A (0.41) RAB9ANPC1SMN1; SMN2POLBLMNA
SCHEMBL21371993 0.73 AR (0.52) HTR2CAR
SCHEMBL21820657 0.71 CRBN (0.49) RAB9ANPC1SMN1; SMN2POLBKMT2A
SCHEMBL13652191 0.68 PTGS2 (0.39) NPC1SMN1; SMN2POLBLMNATP53
SCHEMBL69018 0.67 MEN1 (0.54) NPC1SMN1; SMN2POLBLMNATP53
SCHEMBL5744003 0.67 CRBN (0.38) RAB9ANPC1SMN1; SMN2POLBLMNA
SCHEMBL1710674 0.66 AR (0.42) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL13647657 0.66 DAO (0.47) RAB9ASMN1; SMN2POLBLMNAMAPK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264660-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS Kang, Heonjoong (KR) 2009-10-22 US claimed
EP-1812386-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS Kang, Heonjoong (KR) 2007-08-01 EP claimed
WO-2006043797-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS KANG HEONJOONG (KR) 2006-04-27 WO claimed
US-20090264660-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS Kang, Heonjoong (KR) 2009-10-22 US disclosed
US-20090264660-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS Kang, Heonjoong (KR) 2009-10-22 US disclosed
US-20090264660-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS Kang, Heonjoong (KR) 2009-10-22 US disclosed
EP-1812386-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS Kang, Heonjoong (KR) 2007-08-01 EP disclosed
WO-2006043797-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS KANG HEONJOONG (KR) 2006-04-27 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-20090264660-A1 PROCESS FOR ALKYL ARYL SULFIDE DERIVATIVES AND NEW SULFIDE COMPOUNDS TST, ARSA, STS RAB9A 3110/4885NPC1 3668/4885SMN1; SMN2 2917/4885

“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.