SCHEMBL12416737

SCHEMBL12416737

CC(O)[C@@H](N)C1NC(=O)NC1=O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
RGS12 O14924 1/20 0.35
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL12378783 1.00 TSHR (0.39) TSHRRGS12MEN1KMT2A
SCHEMBL12378787 1.00 TSHR (0.39) TSHRRGS12MEN1KMT2A
SCHEMBL5592332 0.80 TSHR (0.41) TSHRRGS12MEN1KMT2A
SCHEMBL9360332 0.79 TSHR (0.44) TSHRRGS12MEN1KMT2A
SCHEMBL9467064 0.78 TSHR (0.43) TSHRRGS12MEN1KMT2A
Threonine SCHEMBL11423702 0.76 SLC7A5 (0.34) TSHRRGS12
SCHEMBL23596518 0.74 TSHR (0.48) TSHRRGS12MEN1KMT2A
SCHEMBL16597503 0.74 TSHR (0.48) TSHRRGS12MEN1KMT2A
SCHEMBL98976 0.74 TSHR (0.48) TSHRRGS12MEN1KMT2A
SCHEMBL14522121 0.74 TSHR (0.40) TSHRRGS12MEN1KMT2A

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-7998961-B2 For treating conditions associated with UDP-3-O (R-3-hydroxymyristoyl)-N-acetylglucosamine deacetylase (LpxC) SCHERING CORPORATION (US) 2011-08-16 US disclosed
US-20080226618-A1 HYDANTOIN DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS SCHERING CORPORATION 2008-09-18 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-20080226618-A1 HYDANTOIN DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS LPXN, HAX1, LCT TSHR 4380/4885RGS12 2395/4885MEN1 1922/4885

“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.