SCHEMBL2800251

SCHEMBL2800251

CC(C)(C)OC(=O)N1C(=O)N(C(=O)O)C(=O)C12CC(OCc1ccccc1)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.38
ABCB1 P08183 2/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
LMNA P02545 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
STS P08842 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
CASP1 P29466 1/20 0.35
NAMPT P43490 1/20 0.34
ACHE P22303 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
DTYMK P23919 1/20 0.34
EPHX2 P34913 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34

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
SCHEMBL12082089 0.95 KLK7 (0.38) KLK7ABCB1KEAP1NFE2L2LMNA
SCHEMBL2800249 0.95 KLK7 (0.38) KLK7ABCB1KEAP1NFE2L2LMNA
SCHEMBL12081802 0.95 KLK7 (0.38) KLK7ABCB1KEAP1NFE2L2LMNA
SCHEMBL2802050 0.87 SMN1; SMN2 (0.40) EPHX2
SCHEMBL2799647 0.87 EPHX2 (0.38) EPHX2
SCHEMBL12081804 0.82 ABCB1 (0.40) KLK7ABCB1DDB1CRBNSTS
SCHEMBL2802500 0.82 ABCB1 (0.40) KLK7ABCB1DDB1CRBNSTS
SCHEMBL12081841 0.82 ABCB1 (0.40) KLK7ABCB1DDB1CRBNSTS
SCHEMBL12081860 0.81 CTRB1 (0.43)
SCHEMBL2802047 0.81 CTRB1 (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2172459-B1 COMPOUND HAVING HYDANTOIN RING AND METHOD OF PRODUCING THE SAME TOKUYAMA CORP (JP) 2014-03-19 EP disclosed
US-8404860-B2 Compound having hydantoin ring and method of producing the same TOKUYAMA CORPORATION (JP) 2013-03-26 US disclosed
US-20120289705-A1 COMPOUND HAVING HYDANTOIN RING AND METHOD OF PRODUCING THE SAME SHIIGI HIROFUMI (JP) 2012-11-15 US disclosed
US-8258313-B2 Compound having hydantoin ring and method of producing the same TOKUYAMA CORPORATION (JP) 2012-09-04 US disclosed
US-20100184993-A1 COMPOUND HAVING HYDANTOIN RING AND METHOD OF PRODUCING THE SAME TOKUYAMA CORPORATION (JP) 2010-07-22 US disclosed
EP-2172459-A1 COMPOUND HAVING HYDANTOIN RING AND METHOD OF PRODUCING THE SAME Tokuyama Corporation (JP) 2010-04-07 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 (2 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-20120289705-A1 COMPOUND HAVING HYDANTOIN RING AND METHOD OF PRODUCING THE SAME CASP14, CYP8B1, DDT KLK7 1489/4885ABCB1 543/4885KEAP1 2921/4885
US-20100184993-A1 COMPOUND HAVING HYDANTOIN RING AND METHOD OF PRODUCING THE SAME CASP14, CYP8B1, DDT KLK7 1489/4885ABCB1 543/4885KEAP1 2921/4885

“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.