SCHEMBL20138264

SCHEMBL20138264

Cc1ncccc1CN1C(=O)[C@@H](C)Oc2c(C(F)(F)F)cc(-c3cccc(S(C)(=O)=O)c3)nc21

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 13/20 0.37
NR1H3 Q13133 13/20 0.36
RXRA P19793 4/20 0.35
SYK P43405 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
SDHB P21912 1/20 0.33
MTOR P42345 1/20 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
SCHEMBL20138120 0.84 NR1H2 (0.39) NR1H2NR1H3RXRASYKPTGDR2
SCHEMBL20138206 0.81 P2RX7 (0.38) GRIN1GRIN2B
SCHEMBL20137962 0.81 MAPK1 (0.36) MTOR
SCHEMBL20138102 0.73 SMN1; SMN2 (0.37) MTOR
SCHEMBL20138224 0.71 NR1H2 (0.42) NR1H2NR1H3RXRASYKSDHB
SCHEMBL20138190 0.67 SMN1; SMN2 (0.38) MTOR
SCHEMBL20138175 0.67 MAPK1 (0.34)
SCHEMBL20137911 0.66 MTOR (0.38) MTOR
SCHEMBL20138254 0.65 TSHR (0.42)
SCHEMBL20138205 0.65 TSHR (0.42)

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 NR1H2 592/4885NR1H3 1456/4885RXRA 182/4885
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 NR1H2 1167/4885NR1H3 2021/4885RXRA 142/4885

“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.