SCHEMBL16488574

SCHEMBL16488574

Cn1ncc(C(=O)O)c1C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 6/20 0.50
NFE2L2 Q16236 6/20 0.50
HSD11B1 P28845 2/20 0.43
MGLL Q99685 3/20 0.42
SPR P35270 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACMSD Q8TDX5 1/20 0.40
CAMKK1 Q8N5S9 1/20 0.39
CAMKK2 Q96RR4 1/20 0.39
PIM1 P11309 1/20 0.38

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
SCHEMBL21893929 0.95 KEAP1 (0.51) KEAP1NFE2L2HSD11B1MGLLSPR
SCHEMBL28621366 0.94 KEAP1 (0.50) KEAP1NFE2L2HSD11B1MGLLSPR
SCHEMBL3678140 0.92 NFE2L2 (0.58) KEAP1NFE2L2MGLLSPRKDM4E
SCHEMBL16488569 0.84 HSD11B1 (0.47) HSD11B1MGLLKDM4EPIM1
SCHEMBL31663216 0.81 MGLL (0.43) KEAP1NFE2L2HSD11B1MGLL
SCHEMBL16488573 0.80 LMNA (0.54) HSD11B1KDM4EKMT2ASMN1; SMN2
Potassium Ion SCHEMBL21818514 0.79 MGLL (0.42) KEAP1NFE2L2HSD11B1MGLL
SCHEMBL31662967 0.77 MGLL (0.42) KEAP1NFE2L2HSD11B1MGLLHTT
SCHEMBL3491956 0.76 KEAP1 (0.86) KEAP1NFE2L2HSD11B1KMT2AL3MBTL1
SCHEMBL21893556 0.75 KEAP1 (0.41) KEAP1NFE2L2HSD11B1MGLLSPR

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-9745288-B2 Compounds and methods for treating cancer by inhibiting the urokinase receptor INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2017-08-29 US disclosed
US-20150051247-A1 COMPOUNDS AND METHODS FOR TREATING CANCER BY INHIBITING THE UROKINASE RECEPTOR INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2015-02-19 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-20150051247-A1 COMPOUNDS AND METHODS FOR TREATING CANCER BY INHIBITING THE UROKINASE RECEPTOR PLAUR, PLAU, PLG KEAP1 2474/4885NFE2L2 2521/4885HSD11B1 4078/4885

“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.