SCHEMBL17694102

SCHEMBL17694102

CC(C)S(=O)(=O)c1ccnc(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.38
▸ RIPK1 Q13546 2/20 0.37
▸ RIPK2 O43353 2/20 0.36
▸ RIPK3 Q9Y572 1/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ CNR2 P34972 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ ATR Q13535 1/20 0.32
▸ PIK3C3 Q8NEB9 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.31
▸ KIF18A Q8NI77 1/20 0.31
▸ KDM1A O60341 1/20 0.31

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
SCHEMBL31599666 0.79 PTGS1 (0.39) SMN1; SMN2HTR6
SCHEMBL1403910 0.79 PTGS1 (0.39) SMN1; SMN2HTR6
SCHEMBL21020612 0.75 HRH4 (0.47) HRH4RIPK1NR1H2NR1H3
SCHEMBL24669127 0.75 CA2 (0.48) KDM4EHTR6CA12CA9
SCHEMBL28157668 0.75 ALDH1A1 (0.39) KDM4ESMN1; SMN2HTR6ALDH1A1KDM1A
SCHEMBL2636788 0.72 SMN1; SMN2 (0.39) ABL1KDM4ESMN1; SMN2ALDH1A1GSK3B
SCHEMBL6096851 0.71 HPGD (0.38) SMN1; SMN2ALDH1A1
SCHEMBL1271030 0.69 HSD17B2 (0.42) ALDH1A1ATMCA9
SCHEMBL10060473 0.69 CA2 (0.48) NR1H2NR1H3KDM4ESMN1; SMN2HTR6
SCHEMBL1370542 0.68 LMNA (0.38) ABL1ALDH1A1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9763952-B2 Dihydro-benzo-oxazine and dihydro-pyrido-oxazine derivatives NOVARTIS AG (CH) 2017-09-19 — — US disclosed
US-9763952-B2 Dihydro-benzo-oxazine and dihydro-pyrido-oxazine derivatives NOVARTIS AG (CH) 2017-09-19 — — US disclosed
US-20160106753-A1 Dihydro-Benzo-Oxazine and Dihydro-Pyrido-Oxazine Derivatives NOVARTIS AG (CH) 2016-04-21 — — US disclosed
US-20160106753-A1 Dihydro-Benzo-Oxazine and Dihydro-Pyrido-Oxazine Derivatives NOVARTIS AG (CH) 2016-04-21 — — 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-20160106753-A1 Dihydro-Benzo-Oxazine and Dihydro-Pyrido-Oxazine Derivatives PDXK, PDK1, DPYD HRH4 674/4885RIPK1 1964/4885RIPK2 2067/4885

“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.

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