SCHEMBL3307226

SCHEMBL3307226

CC(C)(C)OC(=O)C(N)c1cccc(CN[C]=O)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC7A5 Q01650 1/20 0.39
ITGA4 P13612 2/20 0.36
ITGB7 P26010 2/20 0.36
LTA4H P09960 1/20 0.35
SYK P43405 1/20 0.34
CTSS P25774 6/20 0.34
CTSK P43235 5/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
ATM Q13315 1/20 0.34
CTSB P07858 3/20 0.34
CTSL P07711 2/20 0.33

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
SCHEMBL3307105 0.85 CYP3A4 (0.35) SLC7A5ITGA4ITGB7LTA4HCA12
SCHEMBL855512 0.82 SLC7A5 (0.44) MEN1KMT2ASLC7A5ITGA4ITGB7
SCHEMBL28796517 0.80 ACHE (0.43) MEN1KMT2ASLC7A5LTA4HSYK
SCHEMBL27847543 0.80 SLC7A5 (0.45) MEN1KMT2ASLC7A5ITGA4ITGB7
SCHEMBL27559984 0.78 SLC7A5 (0.43) SLC7A5LTA4H
SCHEMBL5388891 0.77 SLC7A5 (0.36) MEN1KMT2ASLC7A5LTA4HCTSS
SCHEMBL13546232 0.77 SLC7A5 (0.40) MEN1KMT2ASLC7A5ITGA4ITGB7
SCHEMBL5263832 0.76 SLC7A5 (0.46) MEN1KMT2ASLC7A5CTSSCTSK
SCHEMBL3307232 0.76 GLS (0.52) CA12CA1CA7CA14
SCHEMBL27881041 0.75 SLC7A5 (0.44) MEN1KMT2ASLC7A5ITGA4ITGB7

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-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 SHIONOGI & CO., LTD. (JP) 2010-04-22 US disclosed
EP-2128134-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 Shionogi&Co., Ltd. (JP) 2009-12-02 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-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 MMP13, MMP3, MMP26 MEN1 1275/4885KMT2A 2238/4885SLC7A5 362/4885

“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.