SCHEMBL3887452

SCHEMBL3887452

OC1C=CC(F)(SCc2ccccc2)C=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.35
NOS1 P29475 2/20 0.35
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GBA1 P04062 2/20 0.31
TSHR P16473 2/20 0.30
TRPA1 O75762 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30

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
SCHEMBL70588 0.67 ALDH1A1 (0.38) TSHRALDH1A1
SCHEMBL11619698 0.62 KMT2A (0.42) IDO1NOS1NOS3NOS2ALDH1A1
SCHEMBL7200658 0.61 GAA (0.32)
SCHEMBL29093049 0.61 IDO1 (0.41) IDO1NOS1NOS3NOS2CA12
SCHEMBL23341266 0.59 IDO1 (0.39) IDO1NOS1NOS3NOS2CA12
SCHEMBL9516715 0.59 MAOB (0.38) IDO1NOS1NOS3NOS2CA12
SCHEMBL23145532 0.59 TRPA1 (0.39) IDO1NOS1NOS3NOS2CA12
SCHEMBL1406172 0.58
SCHEMBL1813335 0.58
SCHEMBL3461371 0.58 CA12 (0.65) IDO1NOS1NOS3NOS2CA12

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 6 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
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 IDO1 629/4885NOS1 726/4885NOS3 762/4885

“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.