SCHEMBL20138017

SCHEMBL20138017

Cc1c(CN2C(=O)[C@@H](C)Oc3c(F)cc(-c4cccc(S(C)(=O)=O)c4)cc32)c(S(C)(=O)=O)nn1C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NR1H2 P55055 9/20 0.33
TSHR P16473 2/20 0.33
NR1H3 Q13133 5/20 0.32
RXRA P19793 4/20 0.32
KCNH2 Q12809 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KLKB1 P03952 1/20 0.31
MYC P01106 2/20 0.31
WDR5 P61964 2/20 0.31
NPSR1 Q6W5P4 1/20 0.30
PARP1 P09874 1/20 0.30
GRM2 Q14416 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
SCHEMBL20137953 0.93 SMN1; SMN2 (0.37) MEN1KMT2ANR1H2TSHRNR1H3
SCHEMBL20138288 0.90 MEN1 (0.34) MEN1KMT2ANR1H2TSHRNR1H3
SCHEMBL20137998 0.90 KCNH2 (0.33) MEN1KMT2ANR1H2TSHRKCNH2
SCHEMBL20137920 0.90 MEN1 (0.34) MEN1KMT2ANR1H2TSHRKCNH2
SCHEMBL20138176 0.86 REN (0.31) MEN1KMT2ANR1H2KCNH2
SCHEMBL20138116 0.86 SMN1; SMN2 (0.36) MEN1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL20138182 0.86 NR1H2 (0.34) MEN1KMT2ANR1H2TSHRNR1H3
SCHEMBL20138251 0.81 PLK4 (0.32) NR1H2NR1H3
SCHEMBL20138086 0.81 NR1H2 (0.32) NR1H2
SCHEMBL18305093 0.80 NR1H2 (0.31) NR1H2

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-10287299-B2 Substituted benzo[b][1,4]oxazines and pyrido[3,2-b][1,4]oxazines as modulators of tumor necrosis factor activity UCB BIOPHARMA SPRL (BE) 2019-05-14 US disclosed
US-20180134728-A1 Benzoxazinone Derivatives and Analogues Thereof as Modulators of TNF Activity UCB S.A. (BE) 2018-05-17 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 (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-20180134728-A1 Benzoxazinone Derivatives and Analogues Thereof as Modulators of TNF Activity TNF, NFKBIA, TNFRSF1A MEN1 4094/4885KMT2A 3814/4885NR1H2 592/4885
US-10287299-B2 Substituted benzo[b][1,4]oxazines and pyrido[3,2-b][1,4]oxazines as modulators of tumor necrosis factor activity TNF, TNFRSF1A, NFKBIA MEN1 4202/4885KMT2A 3061/4885NR1H2 1167/4885

“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.