SCHEMBL5140258

SCHEMBL5140258

O=S(=O)(CC1CCCO1)c1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 1/20 0.55
ALDH1A1 P00352 7/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NR2F2 P24468 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 4/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
PLCG1 P19174 1/20 0.46
CXCR4 P61073 1/20 0.45
POLB P06746 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
HTT P42858 1/20 0.43
SLC12A2 P55011 1/20 0.43
SLC12A5 Q9H2X9 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.42

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
SCHEMBL1938543 0.95 AOC2 (0.51) AOC2ALDH1A1SMN1; SMN2NR2F2RAB9A
SCHEMBL23370065 0.84 AOC2 (0.55) AOC2ALDH1A1SMN1; SMN2NR2F2RAB9A
SCHEMBL30361453 0.84 AOC2 (0.55) AOC2ALDH1A1SMN1; SMN2NR2F2RAB9A
SCHEMBL8643198 0.84 AOC2 (0.55) AOC2ALDH1A1SMN1; SMN2NR2F2RAB9A
SCHEMBL28170343 0.84 AOC2 (0.51) AOC2ALDH1A1SMN1; SMN2NR2F2RAB9A
SCHEMBL4961361 0.80 AOC2 (0.51) AOC2ALDH1A1SMN1; SMN2NR2F2RAB9A
SCHEMBL3079952 0.78 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2NR2F2RAB9ALMNA
SCHEMBL22289434 0.76 PLCG1 (0.55) ALDH1A1SMN1; SMN2RAB9AMEN1MAPT
SCHEMBL2413925 0.76 PLCG1 (0.59) AOC2KMT2APLCG1POLBHTT
SCHEMBL3077497 0.76 MAPK1 (0.58) ALDH1A1SMN1; SMN2NR2F2RAB9ALMNA

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-7465728-B2 Derivatives of 4-(imidazol-5-yl)-2-(4-sulfoanilino)pyrimidine with CDK inhibitory activity ASTRAZENECA AB (SE) 2008-12-16 US disclosed
US-20050131000-A1 Derivatives of 4-(imidazol-5-yl)-2-(4-sulfoanilino)pyrimidine with cdk inhibitory activity ASTRAZENECA AB (SE) 2005-06-16 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-20050131000-A1 Derivatives of 4-(imidazol-5-yl)-2-(4-sulfoanilino)pyrimidine with cdk inhibitory activity CCNI, CDK2, CDK1 AOC2 4357/4885ALDH1A1 1079/4885SMN1; SMN2 1131/4885

“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.