SCHEMBL6896596

SCHEMBL6896596

CN(CCNC(=O)OC(C)(C)C)C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.56
TDP1 Q9NUW8 2/20 0.43
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ACHE P22303 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
BTK Q06187 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CHRM2 P08172 2/20 0.35

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
SCHEMBL24951947 0.98 EPHX1 (0.54) EPHX1TDP1GAAMEN1KMT2A
SCHEMBL1495989 0.92 EPHX1 (0.49) EPHX1TDP1GAAMEN1KMT2A
SCHEMBL12894207 0.90 EPHX1 (0.52) EPHX1TDP1GAAMEN1KMT2A
SCHEMBL13744596 0.87 EPHX1 (0.45) EPHX1TDP1GAAMEN1KMT2A
SCHEMBL4622655 0.86 EPHX1 (0.44) EPHX1TDP1GAAMEN1KMT2A
SCHEMBL24951478 0.86 EPHX1 (0.44) EPHX1TDP1GAAMEN1KMT2A
Bicarbonate SCHEMBL5548474 0.86 EPHX1 (0.44) EPHX1TDP1GAAMEN1KMT2A
SCHEMBL5405774 0.85 EPHX1 (0.55) EPHX1TDP1GAAMEN1KMT2A
SCHEMBL21244986 0.85 EPHX1 (0.43) EPHX1TDP1GAAMEN1KMT2A
SCHEMBL21244678 0.83 EPHX1 (0.42) EPHX1TDP1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730784-B2 AS THERAPEUTIC AGENTS FOR AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-05-04 US disclosed
US-20020198376-A1 Novel urea derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-26 US disclosed
US-6492370-B1 Urea derivatives and pharmaceutical compositions thereof SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-12-10 US disclosed
EP-1072591-A1 NOVEL UREA DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-01-31 EP 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-20020198376-A1 Novel urea derivatives TNF, CTH, CFH EPHX1 984/4885TDP1 4155/4885GAA 2480/4885

“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.