SCHEMBL4371771

SCHEMBL4371771

O=S(=O)(NCC1CC1)c1cccc(Br)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.66
SMN1; SMN2 Q16637 2/20 0.60
PARG Q86W56 1/20 0.57
ATM Q13315 1/20 0.55
ALDH1A1 P00352 2/20 0.54
PKM P14618 1/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
HDAC3 O15379 2/20 0.51
HDAC4 P56524 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
HDAC5 Q9UQL6 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.50

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
SCHEMBL5032619 0.81 GBA1 (0.66) GBA1SMN1; SMN2PARGALDH1A1PKM
SCHEMBL3012277 0.80 GBA1 (0.69) GBA1PARGATMALDH1A1PKM
SCHEMBL2470122 0.80 GBA1 (1.00) GBA1SMN1; SMN2PARGALDH1A1PKM
SCHEMBL14376188 0.79 GBA1 (0.62) GBA1SMN1; SMN2PARGALDH1A1PKM
SCHEMBL7258320 0.79 GBA1 (0.62) GBA1SMN1; SMN2PARGALDH1A1PKM
SCHEMBL14349178 0.78 GBA1 (0.60) GBA1SMN1; SMN2PARGALDH1A1PKM
SCHEMBL17513498 0.77 ATM (0.60) SMN1; SMN2ATMALDH1A1L3MBTL1KAT6A
SCHEMBL5035328 0.77 ALDH1A1 (0.67) GBA1SMN1; SMN2PARGALDH1A1PKM
SCHEMBL5036093 0.77 KMT2A (0.69) GBA1SMN1; SMN2PARGALDH1A1L3MBTL1
SCHEMBL1858605 0.76 KEAP1 (0.69) SMN1; SMN2ATMALDH1A1PKMHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846687-B2 Pyrazine compounds as PI3 kinase inhibitors NOVARTIS AG (CH) 2014-09-30 US disclosed
EP-2597085-A1 Organic compounds Novartis AG (CH) 2013-05-29 EP disclosed
US-8268834-B2 Pyrazine derivatives that inhibit phosphatidylinositol 3-kinase enzyme NOVARTIS AG (CH) 2012-09-18 US disclosed
US-20120214800-A1 Organic Compounds NOVARTIS AG (CH) 2012-08-23 US disclosed
US-20090239847-A1 Organic compounds NOVARTIS AG (CH) 2009-09-24 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-20090239847-A1 Organic compounds AR, TRPA1, IL33 GBA1 895/4885SMN1; SMN2 3824/4885PARG 2647/4885
US-20120214800-A1 Organic Compounds AR, TRPA1, IL33 GBA1 895/4885SMN1; SMN2 3824/4885PARG 2647/4885

“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.