SCHEMBL938569

SCHEMBL938569

O=S(=O)(c1cccc(Br)c1)N(CCO)CCO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
VCAM1 P19320 1/20 0.48
PRKCA P17252 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.43
MMP1 P03956 3/20 0.43
MMP7 P09237 3/20 0.43
MMP8 P22894 3/20 0.43
MMP12 P39900 3/20 0.43
MMP13 P45452 3/20 0.43
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
RAF1 P04049 1/20 0.41

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
SCHEMBL2224740 0.84 KMT2A (0.52) KMT2AMEN1ALDH1A1NPC1GAA
SCHEMBL5035257 0.80 ALDH1A1 (0.53) SMN1; SMN2VCAM1PRKCAALDH1A1TSHR
SCHEMBL8156944 0.80 CA1 (0.57) SMN1; SMN2VCAM1PRKCAALDH1A1TSHR
SCHEMBL9320572 0.80 SMN1; SMN2 (0.51) SMN1; SMN2VCAM1PRKCAKMT2AMEN1
SCHEMBL264279 0.79 ALDH1A1 (0.69) SMN1; SMN2KMT2AMEN1HTTALDH1A1
SCHEMBL2835133 0.79 SMN1; SMN2 (0.68) SMN1; SMN2VCAM1PRKCAKMT2AMEN1
SCHEMBL3622125 0.78 SMN1; SMN2 (0.67) SMN1; SMN2VCAM1PRKCAKMT2AMEN1
SCHEMBL1347001 0.78 SMN1; SMN2 (0.49) SMN1; SMN2VCAM1HTTALDH1A1NPC1
SCHEMBL6671420 0.78 CYP2C19 (0.56) SMN1; SMN2KMT2AMEN1ALDH1A1TSHR
SCHEMBL5035255 0.76 SMN1; SMN2 (0.47) SMN1; SMN2VCAM1PRKCAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4719385-A2 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINES AS ANTI-INFECTIOUS AGENTS University of Vermont and State Agricultural College (US) 2026-04-08 EP disclosed
WO-2024249380-A2 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINES AS ANTI-INFECTIOUS AGENTS UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2024-12-05 WO disclosed
EP-2222674-B1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LTD (GB) 2015-11-11 EP disclosed
EP-2222674-B1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LTD (GB) 2015-11-11 EP disclosed
US-8865699-B2 Amino triazoles as PI3K inhibitors CELLZOME LTD. (GB) 2014-10-21 US disclosed
US-8865699-B2 Amino triazoles as PI3K inhibitors CELLZOME LTD. (GB) 2014-10-21 US disclosed
US-8865699-B2 Amino triazoles as PI3K inhibitors CELLZOME LTD. (GB) 2014-10-21 US disclosed
US-20110021497-A1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2011-01-27 US disclosed
US-20110021497-A1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2011-01-27 US disclosed
US-20110021497-A1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2011-01-27 US disclosed
WO-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 WO disclosed
WO-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 WO disclosed
EP-2222674-A1 AMINO TRIAZOLES AS PI3K INHIBITORS Cellzome Limited (GB) 2010-09-01 EP disclosed
WO-2009068482-A1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2009-06-04 WO disclosed
WO-2009068482-A1 AMINO TRIAZOLES AS PI3K INHIBITORS CELLZOME LIMITED (GB) 2009-06-04 WO 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-20110021497-A1 AMINO TRIAZOLES AS PI3K INHIBITORS PIK3C3, PIK3R3, PIK3R5 SMN1; SMN2 4865/4885VCAM1 2097/4885PRKCA 245/4885

“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.