SCHEMBL4698592

SCHEMBL4698592

O=S(=O)(O)N1CCC(c2ccc(F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP5 P45974 1/20 0.50
NAMPT P43490 1/20 0.46
COMT P21964 1/20 0.45
CCR5 P51681 1/20 0.43
PARP10 Q53GL7 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ATM Q13315 1/20 0.42
DRD2 P14416 2/20 0.42
TRPA1 O75762 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
KCNH2 Q12809 1/20 0.41
GRIN2B Q13224 1/20 0.41
MAPT P10636 1/20 0.41
MMP3 P08254 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CCR1 P32246 1/20 0.40

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
SCHEMBL4698427 0.84 USP5 (0.48) USP5NAMPTCOMTCCR5PARP10
SCHEMBL6614112 0.84 CYP3A4 (0.49) USP5NAMPTCOMTCCR5PARP10
SCHEMBL942270 0.83 DPP4 (0.49) USP5NAMPTCOMTCCR5TRPA1
SCHEMBL4964431 0.82 MMP2 (0.54) USP5RAB9ALMNAMMP3KDM4E
SCHEMBL6027193 0.79 HSD11B1 (0.50) KCNH2FAAH
SCHEMBL12911295 0.77 MMP3 (0.52) USP5NAMPTCOMTCCR5PARP10
SCHEMBL31454290 0.76 COMT (0.55) USP5COMTCCR5RAB9ALMNA
SCHEMBL11827669 0.76 ESR2 (0.52) USP5NAMPTPARP10NPC1RAB9A
SCHEMBL21675821 0.76 PARP10 (0.44) PARP10NPC1RAB9AATMDRD2
SCHEMBL28036178 0.75 RAB9A (0.55) PARP10NPC1RAB9AATMDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444202-B1 NOVEL METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2008-10-15 EP disclosed
US-7132434-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2006-11-07 US disclosed
US-20050026990-A1 Novel metalloproteinase ihibitors ASTRAZENECA AB (SE) 2005-02-03 US disclosed
EP-1444202-A1 NOVEL METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040098-A1 NOVEL METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2003-05-15 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-20050026990-A1 Novel metalloproteinase ihibitors MMP12, MMP1, MMP16 USP5 1906/4885NAMPT 658/4885COMT 3240/4885

“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.