SCHEMBL20138102

SCHEMBL20138102

Cc1cc(-c2cccc(S(C)(=O)=O)c2)nc2c1O[C@H](C)C(=O)N2Cc1c(C)nn(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MTOR P42345 1/20 0.34
GRM2 Q14416 1/20 0.34
BRD4 O60885 2/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
NPC1 O15118 1/20 0.33
GALR3 O60755 1/20 0.33
LMNA P02545 1/20 0.33
NR2F2 P24468 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
KCNH2 Q12809 4/20 0.32
VCP P55072 1/20 0.31
KLKB1 P03952 1/20 0.30
NMT1 P30419 2/20 0.30
PSD A5PKW4 1/20 0.30
PIK3R1 P27986 1/20 0.30
PIK3CA P42336 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
SCHEMBL20138190 0.87 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1MTORGRM2CTSS
SCHEMBL20137953 0.80 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1NPC1GALR3LMNA
SCHEMBL20138101 0.80 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1MTORGRM2CTSS
SCHEMBL20137985 0.77 ALDH1A1 (0.32) SMN1; SMN2ALDH1A1
SCHEMBL18305069 0.75 GRM2 (0.40) SMN1; SMN2ALDH1A1MTORGRM2CTSS
SCHEMBL20138116 0.74 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1NPC1GALR3LMNA
SCHEMBL20138264 0.73 NR1H2 (0.37) MTOR
SCHEMBL20138017 0.73 MEN1 (0.33) SMN1; SMN2ALDH1A1GRM2KCNH2KLKB1
SCHEMBL20138182 0.72 NR1H2 (0.34) SMN1; SMN2ALDH1A1LMNAHTTKCNH2
SCHEMBL20138288 0.72 MEN1 (0.34) SMN1; SMN2ALDH1A1KCNH2NMT1

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 SMN1; SMN2 798/4885ALDH1A1 557/4885MTOR 3479/4885
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 SMN1; SMN2 419/4885ALDH1A1 244/4885MTOR 3921/4885

“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.