SCHEMBL4842357

SCHEMBL4842357

O=S(=O)(O)c1ccc(N=Nc2ccc(O)c(F)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
CYP2D6 P10635 1/20 0.56
RPS6KA3 P51812 1/20 0.55
PTGS2 P35354 4/20 0.54
PTGS1 P23219 4/20 0.54
PHLPP2 Q6ZVD8 4/20 0.48
ATIC P31939 1/20 0.48
CYP2C9 P11712 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 2/20 0.48
GLO1 Q04760 2/20 0.47
CYP1A2 P05177 1/20 0.47
PLCG1 P19174 1/20 0.47
CA12 O43570 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CA7 P43166 1/20 0.46
CDK1 P06493 1/20 0.43
CDK2 P24941 1/20 0.43
LMNA P02545 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
SCHEMBL4535890 0.86 POLB (0.59) POLBCYP2D6RPS6KA3PTGS2PTGS1
SCHEMBL4535887 0.86 POLB (0.59) POLBCYP2D6RPS6KA3PTGS2PTGS1
SCHEMBL4280752 0.84 PTGS1 (0.74) POLBCYP2D6RPS6KA3PTGS2PTGS1
SCHEMBL7813054 0.80 RPS6KA3 (0.63) POLBCYP2D6RPS6KA3PTGS2PTGS1
SCHEMBL8844893 0.80 PTGS2 (0.77) POLBCYP2D6RPS6KA3PTGS2PTGS1
SCHEMBL11578943 0.80 HSD17B10 (0.66) POLBCYP2D6RPS6KA3PTGS2PTGS1
SCHEMBL11219752 0.80 HSD17B10 (0.66) POLBCYP2D6RPS6KA3PTGS2PTGS1
SCHEMBL29596405 0.80 POLB (0.56) POLBCYP2D6RPS6KA3PTGS2PTGS1
SCHEMBL8844886 0.80 PTGS2 (0.77) POLBCYP2D6RPS6KA3PTGS2PTGS1
SCHEMBL7813050 0.80 RPS6KA3 (0.63) POLBCYP2D6RPS6KA3PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139795-A1 Preparation of halogenated 4-aminophenols LANXESS DEUTSCHLAND GMBH (DE) 2008-06-12 US claimed
US-20050143425-A1 Preparation of halogenated 4-aminophenols LANXESS DEUTSCHLAND GMBH (DE) 2005-06-30 US claimed
EP-1514865-A1 Process for the preparation of halogen containing 4-amino phenols Bayer Chemicals AG (DE) 2005-03-16 EP claimed
US-20080139795-A1 Preparation of halogenated 4-aminophenols LANXESS DEUTSCHLAND GMBH (DE) 2008-06-12 US disclosed
US-7358397-B2 Preparation of halogenated 4-aminophenols LANXESS DEUTSCHLAND GMBH (DE) 2008-04-15 US disclosed
US-20050143425-A1 Preparation of halogenated 4-aminophenols LANXESS DEUTSCHLAND GMBH (DE) 2005-06-30 US disclosed
EP-1514865-A1 Process for the preparation of halogen containing 4-amino phenols Bayer Chemicals AG (DE) 2005-03-16 EP disclosed
EP-1514865-A1 Process for the preparation of halogen containing 4-amino phenols Bayer Chemicals AG (DE) 2005-03-16 EP 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-20080139795-A1 Preparation of halogenated 4-aminophenols CYP4X1, CYP4B1, PAH POLB 1616/4885CYP2D6 30/4885RPS6KA3 2789/4885
US-20050143425-A1 Preparation of halogenated 4-aminophenols CYP4X1, HPD, CYP4F8 POLB 1890/4885CYP2D6 39/4885RPS6KA3 2709/4885

“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.