SCHEMBL4200531

SCHEMBL4200531

CC(C)S(=O)(=O)Nc1cccc(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
PFKFB3 Q16875 3/20 0.54
MAPT P10636 1/20 0.53
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
WDR5 P61964 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PFKFB4 Q16877 1/20 0.50
MAP1LC3B Q9GZQ8 1/20 0.49
MAP1LC3A Q9H492 1/20 0.49
FABP4 P15090 2/20 0.49
USP2 O75604 1/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
THRB P10828 1/20 0.49
FABP5 Q01469 1/20 0.49

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
SCHEMBL31317828 1.00 POLB (0.57) POLBPFKFB3MAPTALDH1A1SMN1; SMN2
SCHEMBL3558954 0.87 MEP1B (0.46) POLBPFKFB3MAPT
SCHEMBL6291394 0.85 POLB (0.52) POLBPFKFB3MAPTALDH1A1SMN1; SMN2
SCHEMBL31317790 0.84 POLB (0.70) POLBPFKFB3MAPTALDH1A1SMN1; SMN2
SCHEMBL4191490 0.84 POLB (0.70) POLBPFKFB3MAPTALDH1A1SMN1; SMN2
SCHEMBL25111766 0.84 MAP1LC3B (0.53) POLBMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL29522198 0.81 ALDH1A1 (0.75) POLBPFKFB3MAPTALDH1A1SMN1; SMN2
SCHEMBL1677059 0.81 ALDH1A1 (0.75) POLBPFKFB3MAPTALDH1A1SMN1; SMN2
SCHEMBL3555821 0.81 PARP1 (0.45) KMT2A
SCHEMBL3552908 0.81 CA1 (0.46) MEN1KMT2A

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
US-20190176081-A1 GAS SEPARATION MEMBRANE, GAS SEPARATION MODULE, GAS SEPARATION DEVICE, GAS SEPARATION METHOD, AND POLYIMIDE COMPOUND FUJIFILM CORPORATION (JP) 2019-06-13 US disclosed
US-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US disclosed
US-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US disclosed
US-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US disclosed
EP-1651641-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-05-23 EP disclosed
EP-1651640-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-02-14 EP disclosed
EP-1651640-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-02-14 EP disclosed
US-20060178408-A1 Nicotinamide derivatives useful as pde4 inhibitors BARBER CHRISTOPHER G 2006-08-10 US disclosed
EP-1651640-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-03 EP disclosed
EP-1651641-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-03 EP disclosed
US-20050043326-A1 Compounds PFIZER INC 2005-02-24 US disclosed
WO-2005009995-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
WO-2005009994-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
WO-2005009995-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
US-20050020611-A1 Compounds PFIZER INC. 2005-01-27 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 (4 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-20050020611-A1 Compounds NQO1, NAMPT, NNT POLB 1310/4885PFKFB3 466/4885MAPT 3157/4885
US-20060178408-A1 Nicotinamide derivatives useful as pde4 inhibitors PDE4A, PDE4B, PDE4C POLB 1018/4885PFKFB3 1474/4885MAPT 3551/4885
US-20090035313-A1 Compounds NQO1, NAMPT, NNT POLB 1310/4885PFKFB3 466/4885MAPT 3157/4885
US-20050043326-A1 Compounds NQO1, NAMPT, NNT POLB 1310/4885PFKFB3 466/4885MAPT 3157/4885

“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.