SCHEMBL4378960

SCHEMBL4378960

O=S(=O)(c1ccc(F)cc1F)N1CCC(=NOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
PKLR P30613 1/20 0.43
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.38
HTR2A P28223 4/20 0.37
HTR2C P28335 4/20 0.37
CNR1 P21554 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
KCNH2 Q12809 1/20 0.35
GBA1 P04062 1/20 0.35
KDM2B Q8NHM5 1/20 0.34

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
SCHEMBL4385272 0.91 PKM (0.54) PKMALDH1A1MAPTTSHRKDM4E
SCHEMBL4383725 0.85 HSD11B1 (0.44) ALDH1A1MAPTTSHR
SCHEMBL4381279 0.84 PKM (0.49) PKMALDH1A1MAPTKDM4E
SCHEMBL4392624 0.83 GAA (0.40) PKMALDH1A1MAPTPKLRKDM4E
SCHEMBL4385228 0.83 PKM (0.44) PKMALDH1A1MAPTPKLRTSHR
SCHEMBL4393768 0.83 KMT2A (0.47) PKMPKLRHTR2AHTR2CNPC1
SCHEMBL4377766 0.82 NR3C1 (0.40) PKMALDH1A1MAPTTSHRKDM4E
SCHEMBL4377015 0.81 PKM (0.46) PKMALDH1A1MAPTTSHRKDM4E
SCHEMBL4382855 0.80 KMT2A (0.52) ALDH1A1MAPTTSHRKDM4E
SCHEMBL4376961 0.79 PKM (0.50) PKMALDH1A1MAPTTSHRKDM4E

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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US 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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 PKM 2106/4885ALDH1A1 2105/4885MAPT 4378/4885

“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.