SCHEMBL6852033

SCHEMBL6852033

COC(=O)CCn1c(C)ccc(NC(=O)OCc2ccccc2)c1=O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.56
ELANE P08246 10/20 0.55
CASP1 P29466 1/20 0.53
F2 P00734 1/20 0.52
PRSS1 P07477 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
CTRC Q99895 5/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FAAH O00519 1/20 0.45
MGLL Q99685 1/20 0.45
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAOB P27338 1/20 0.42

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
SCHEMBL27501507 0.89 ELANE (0.62) KAT2BELANECASP1F2PRSS1
SCHEMBL2798490 0.84 ELANE (0.64) ELANECASP1F2PRSS1NPC1
SCHEMBL8642645 0.82 NPC1 (0.60) KAT2BELANECASP1F2PRSS1
SCHEMBL4424252 0.81 ELANE (0.61) ELANECASP1F2PRSS1NPC1
SCHEMBL6850663 0.78 F2 (0.64) F2PRSS1
SCHEMBL27524499 0.78 ELANE (0.64) KAT2BELANECASP1F2PRSS1
SCHEMBL6852036 0.76 ELANE (0.54) ELANECASP1F2PRSS1NPC1
SCHEMBL7322304 0.76 NPC1 (0.55) ELANECASP1F2PRSS1NPC1
SCHEMBL27476203 0.75 ELANE (0.65) KAT2BELANECASP1F2PRSS1
SCHEMBL950663 0.75 ELANE (0.55) ELANECASP1F2PRSS1NPC1

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-6777431-B2 ANTICOAGULANTS CORVAS INTERNATIONAL, INC. 2004-08-17 US disclosed
US-20030092679-A1 Novel non-convalent thrombin inhibitors DENDREON PHARMACEUTICALS LLC 2003-05-15 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-20030092679-A1 Novel non-convalent thrombin inhibitors F2, SERPINC1, F2RL3 KAT2B 3749/4885ELANE 167/4885CASP1 205/4885

“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.