SCHEMBL6742469

SCHEMBL6742469

CC1(C)OC2C(=O)N(Cc3ccccc3)C(=O)C2O1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CTSG P08311 2/20 0.53
PRTN3 P24158 1/20 0.53
ALDH1A1 P00352 4/20 0.51
F2 P00734 1/20 0.50
PLG P00747 1/20 0.50
CMA1 P23946 1/20 0.50
CTRC Q99895 1/20 0.50
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
EP300 Q09472 1/20 0.47
GSK3A P49840 2/20 0.47
GSK3B P49841 2/20 0.47
MGLL Q99685 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL14189455 1.00 ELANE (0.56) ELANEMEN1KMT2ACTSGPRTN3
SCHEMBL10068628 0.81 ALDH1A1 (0.54) ELANEMEN1KMT2ACTSGALDH1A1
SCHEMBL9909016 0.79 ELANE (0.59) ELANEMEN1KMT2ACTSGPRTN3
SCHEMBL12469648 0.79 ELANE (0.59) ELANEMEN1KMT2ACTSGPRTN3
SCHEMBL9975770 0.76 KMT2A (0.66) ELANEMEN1KMT2ACTSGALDH1A1
SCHEMBL10031595 0.76 KMT2A (0.66) ELANEMEN1KMT2ACTSGALDH1A1
SCHEMBL16775234 0.75 KMT2A (0.70) ELANEMEN1KMT2ACTSGALDH1A1
SCHEMBL16759895 0.75 KMT2A (0.70) ELANEMEN1KMT2ACTSGALDH1A1
SCHEMBL22647700 0.74 KMT2A (0.68) ELANEMEN1KMT2ACTSGALDH1A1
SCHEMBL6620106 0.73 ELANE (0.53) ELANEMEN1KMT2ACTSGPRTN3

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-6696574-B2 N-(INDOLE-2-CARBONYL)-BETA-ALANINAMIDE DERIVATIVES PFIZER INC. 2004-02-24 US disclosed
US-20030187051-A1 Anticholesterol agents, cardiovascular disorders, hypotensive agents, antidiabetic agents, antitumor agents PFIZER INC. 2003-10-02 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-20030187051-A1 Anticholesterol agents, cardiovascular disorders, hypotensive agents, antidiabetic agents, antitumor agents PYGL, PYGM, AGL ELANE 4083/4885MEN1 1506/4885KMT2A 2803/4885

“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.