SCHEMBL11030528

SCHEMBL11030528

CS(=O)(=O)OCc1cn(C(=O)O)c2ncccc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.41
PDE4A P27815 1/20 0.38
KCNH2 Q12809 1/20 0.38
PTGDR2 Q9Y5Y4 5/20 0.37
HTR6 P50406 1/20 0.37
COMT P21964 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK8 P45983 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
SCHEMBL11027996 0.80 ELANE (0.48) ELANEKDM4ENPC1HTTRAB9A
SCHEMBL28462480 0.77 ELANE (0.44) ELANEKDM4E
SCHEMBL28673352 0.72 ELANE (0.49) ELANEKDM4EHTT
SCHEMBL30069016 0.72 ELANE (0.49) ELANEKDM4EHTT
SCHEMBL21408838 0.72 KDM4E (0.55) KDM4ENPSR1
SCHEMBL15414568 0.70 KDM4E (0.37) COMTKDM4ENPC1ALOX12HTT
SCHEMBL28994902 0.69 ELANE (0.59) ELANEKDM4EHTT
SCHEMBL28465215 0.69 ELANE (0.43) ELANEKDM4E
SCHEMBL19095663 0.69 ELANE (0.46) ELANEKDM4E
SCHEMBL3210378 0.69 PARP1 (0.49) ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190701-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-07-26 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-20120190701-A1 RENIN INHIBITORS REN, ACE, AGTR1 ELANE 1325/4885PDE4A 2112/4885KCNH2 35/4885

“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.