SCHEMBL2693205

SCHEMBL2693205

CC(C)(C)OC(=O)N1CC2OC2[C@H]1C(=O)NOCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.42
GHSR Q92847 5/20 0.40
STS P08842 1/20 0.39
PARP1 P09874 1/20 0.38
PTPN1 P18031 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ABCB1 P08183 1/20 0.37
HTRA1 Q92743 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL201375 1.00 KLK7 (0.42) KLK7GHSRSTSPARP1PTPN1
SCHEMBL201456 1.00 KLK7 (0.42) KLK7GHSRSTSPARP1PTPN1
SCHEMBL201376 1.00 KLK7 (0.42) KLK7GHSRSTSPARP1PTPN1
SCHEMBL201385 0.86 NPC1 (0.43) NPC1RAB9ASMN1; SMN2
SCHEMBL19233879 0.84 KLK7 (0.46) KLK7PARP1ABCB1NR1H2NR1H3
SCHEMBL12478959 0.84 KLK7 (0.46) KLK7PARP1ABCB1NR1H2NR1H3
SCHEMBL16917854 0.84 KLK7 (0.46) KLK7PARP1ABCB1NR1H2NR1H3
SCHEMBL12480576 0.84 KLK7 (0.46) KLK7PARP1ABCB1NR1H2NR1H3
SCHEMBL13967442 0.84 KLK7 (0.46) KLK7PARP1ABCB1NR1H2NR1H3
SCHEMBL203307 0.83 GHSR (0.41) KLK7GHSRSTSPARP1NPC1

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-8088804-B2 N-hydroxyamide derivatives possessing antibacterial activity PFIZER INC. (US) 2012-01-03 US disclosed
US-20100022605-A1 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. 2010-01-28 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-20100022605-A1 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY NAAA, HDHD5, HACL2 KLK7 3987/4885GHSR 1457/4885STS 624/4885

“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.