SCHEMBL20138248

SCHEMBL20138248

C[C@H]1Oc2c(F)cc(-c3cccc(S(C)(=O)=O)c3)cc2NC1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.40
CREBBP Q92793 1/20 0.40
NPY5R Q15761 2/20 0.38
PLK4 O00444 3/20 0.38
PARP1 P09874 2/20 0.37
DPP4 P27487 1/20 0.37
PTGS2 P35354 3/20 0.35
PTGS1 P23219 2/20 0.35
PGR P06401 1/20 0.35
SCD O00767 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
TRPV1 Q8NER1 2/20 0.33
CTSK P43235 1/20 0.33
CTSC P53634 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
SCHEMBL20137986 0.83 BRD4 (0.31) BRD4PARP1TRPV1CTSKCTSC
SCHEMBL20138138 0.81 PARP1 (0.38) BRD4PARP1PGR
SCHEMBL20138188 0.80 PARP1 (0.37) BRD4CREBBPPARP1PGR
SCHEMBL20137948 0.77 CYP11B2 (0.41) PARP1
SCHEMBL30806796 0.72 PARP1 (0.44) BRD4PARP1PGRDDB1CRBN
SCHEMBL16792483 0.72 PARP1 (0.44) BRD4PARP1PGRDDB1CRBN
SCHEMBL18128266 0.72 PARP1 (0.56) BRD4CREBBPPARP1TRPV1
SCHEMBL18128151 0.72 PARP1 (0.56) BRD4CREBBPPARP1TRPV1
SCHEMBL18128043 0.72 PARP1 (0.44) BRD4PARP1PGRDDB1CRBN
SCHEMBL31451527 0.70 PARP1 (0.42) BRD4CREBBPPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107873031-B Benzoxazinone derivatives and analogs thereof as modulators of TNF activity UCB生物制药私人有限公司 2021-03-12 CN disclosed
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 BRD4 1801/4885CREBBP 1256/4885NPY5R 523/4885
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 BRD4 2210/4885CREBBP 1234/4885NPY5R 312/4885

“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.