SCHEMBL7016547

SCHEMBL7016547

CC(C)(C)OC(=O)CCSc1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.50
KCNH2 Q12809 1/20 0.50
SDCBP O00560 2/20 0.47
SDC2 P34741 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 1/20 0.43
PKM P14618 2/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL7868844 0.86 HSP90AA1 (0.48) HSP90AA1KCNH2SDCBPSDC2HPGD
SCHEMBL7862203 0.84 PKM (0.44) SDCBPSDC2HPGDPKMPOLB
SCHEMBL7049482 0.84 SMN1; SMN2 (0.54) SMN1; SMN2HPGDPOLBKMT2AALDH1A1
SCHEMBL7874072 0.83 MTNR1A (0.52) SMN1; SMN2HPGDPKML3MBTL1HTT
SCHEMBL7012446 0.82 HSP90AA1 (0.54) HSP90AA1KCNH2SDCBPSDC2SMN1; SMN2
SCHEMBL8348150 0.81 L3MBTL1 (0.46) HSP90AA1KCNH2SDCBPSDC2SMN1; SMN2
SCHEMBL7651344 0.79 HSP90AA1 (0.51) HSP90AA1KCNH2SDCBPSDC2SMN1; SMN2
SCHEMBL7046265 0.79 SDCBP (0.54) HSP90AA1KCNH2SDCBPSDC2SMN1; SMN2
SCHEMBL8348656 0.78 HSP90AA1 (0.36) HSP90AA1KCNH2SDCBPSDC2SMN1; SMN2
SCHEMBL18295921 0.78 L3MBTL1 (0.55) SDCBPSDC2SMN1; SMN2L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030187023-A1 Sulfone derivatives, process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 US disclosed
EP-1302462-A1 SULFONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-04-16 EP 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-20030187023-A1 Sulfone derivatives, process for their production and use thereof SULT1E1, RRS1, SHH HSP90AA1 4038/4885KCNH2 164/4885SDCBP 3953/4885

“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.