SCHEMBL4842755

SCHEMBL4842755

O=S(=O)(O)c1ccc(N=Nc2ccc(O)cc2F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.55
POLB P06746 3/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ATIC P31939 1/20 0.48
EGFR P00533 1/20 0.47
LMNA P02545 2/20 0.47
GLO1 Q04760 2/20 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
PHLPP2 Q6ZVD8 4/20 0.45
MEN1 O00255 4/20 0.44
MAPT P10636 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL9099069 1.00 RPS6KA3 (0.55) RPS6KA3POLBCYP2D6CYP2C9CYP2C19
SCHEMBL112102 0.84 EGFR (0.69) RPS6KA3POLBCYP2D6CYP2C9CYP2C19
SCHEMBL29378452 0.84 EGFR (0.69) RPS6KA3POLBCYP2D6CYP2C9CYP2C19
SCHEMBL112101 0.84 EGFR (0.69) RPS6KA3POLBCYP2D6CYP2C9CYP2C19
SCHEMBL144370 0.83 EGFR (0.67) RPS6KA3POLBCYP2D6CYP2C9CYP2C19
SCHEMBL144372 0.83 EGFR (0.67) RPS6KA3POLBCYP2D6CYP2C9CYP2C19
SCHEMBL27996761 0.82 RPS6KA3 (0.55) RPS6KA3POLBCYP2D6CYP2C9CYP2C19
SCHEMBL4808253 0.80 LMNA (0.74) RPS6KA3POLBCYP2D6CYP2C9CYP2C19
SCHEMBL2171353 0.80 LMNA (0.74) RPS6KA3POLBCYP2D6CYP2C9CYP2C19
SCHEMBL4535890 0.79 POLB (0.59) RPS6KA3POLBCYP2D6CYP2C9CYP2C19

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 11 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
US-5545754-A Process for the preparation of p-amino-phenols BAYER AKTIENGESELLSCHAFT (DE) 1996-08-13 US disclosed
EP-0490218-B1 Process for the preparation of p-aminophenols BAYER AG (DE) 1994-04-20 EP disclosed
EP-0490218-A1 Process for the preparation of p-aminophenols BAYER AG (DE) 1992-06-17 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 RPS6KA3 2789/4885POLB 1616/4885CYP2D6 30/4885
US-20050143425-A1 Preparation of halogenated 4-aminophenols CYP4X1, HPD, CYP4F8 RPS6KA3 2709/4885POLB 1890/4885CYP2D6 39/4885

“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.