SCHEMBL4385272

SCHEMBL4385272

O=S(=O)(c1cc(F)ccc1F)N1CCC(=NOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.54
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.43
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 4/20 0.37
TP53 P04637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 2/20 0.35
CNR1 P21554 2/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL4378960 0.91 PKM (0.43) PKMNPC1RAB9ATSHRKDM4E
SCHEMBL4383725 0.85 HSD11B1 (0.44) TSHRMAPTALDH1A1LMNAKMT2A
SCHEMBL4385228 0.85 PKM (0.44) PKMTSHRMAPTALDH1A1SMN1; SMN2
SCHEMBL4381279 0.84 PKM (0.49) PKMPOLBKDM4EMAPTALDH1A1
SCHEMBL4392624 0.83 GAA (0.40) PKMKDM4EMAPTALDH1A1LMNA
SCHEMBL4393768 0.83 KMT2A (0.47) PKMNPC1SMN1; SMN2HTR2AHTR2C
SCHEMBL4377766 0.82 NR3C1 (0.40) PKMTSHRKDM4EMAPTTP53
SCHEMBL4382575 0.81 KMT2A (0.52) PKMPOLBMAPTALDH1A1SMN1; SMN2
SCHEMBL4377015 0.81 PKM (0.46) PKMTSHRKDM4EMAPTALDH1A1
SCHEMBL4380728 0.80 GAA (0.51) PKMKDM4EALDH1A1KMT2AL3MBTL1

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 4 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
WO-2008008398-A2 OXIME COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2008-01-17 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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 PKM 2106/4885NPC1 4088/4885RAB9A 4109/4885

“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.