SCHEMBL2854486

SCHEMBL2854486

CC(C)(C)NS(=O)(=O)c1cccc(C=O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
KDM4E B2RXH2 2/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
NPC1 O15118 1/20 0.65
LMNA P02545 1/20 0.65
HPGD P15428 1/20 0.65
RAB9A P51151 1/20 0.65
PARG Q86W56 2/20 0.50
JAK2 O60674 1/20 0.44
NAT1 P18440 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
ALDH1A1 P00352 6/20 0.42
NSD2 O96028 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CYP3A4 P08684 1/20 0.40

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
SCHEMBL9779481 0.81 L3MBTL1 (0.49) SMN1; SMN2LMNANAT1ALDH1A1CA12
SCHEMBL2796555 0.79 ALDH1A1 (0.56) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL10016535 0.79 SMN1; SMN2 (1.00) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL398534 0.78 MAPT (0.54) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL398533 0.78 MAPT (0.54) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL23345426 0.77 KMT2A (0.77) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL12093538 0.77 KMT2A (0.71) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL7145890 0.77 LMNA (0.77) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL941584 0.77 CA12 (0.44) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL14674169 0.77 KMT2A (0.47) SMN1; SMN2KMT2ALMNANAT1ALDH1A1

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
EP-1910298-B1 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL MYERS SQUIBB CO (US) 2010-01-13 EP disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
EP-1910298-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2008-04-16 EP disclosed
US-7285558-B2 Pyrazolo[3,4-d]pyrimidines inhibiting H. pylori infections ASTRAZENECA AB (SE) 2007-10-23 US disclosed
WO-2007002313-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 US disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 US disclosed
US-20040254183-A1 Pyrazolo[3,4-d]pyrimidines inhibiting h. pylori infections ASTRAZENECA AB (SE) 2004-12-16 US disclosed
EP-1412355-A1 NEW PYRAZOLO(3,4-D)PYRIMIDINES INHIBITING H. PYLORI INFECTIONS AstraZeneca AB (SE) 2004-04-28 EP disclosed
WO-2003002567-A1 NEW PYRAZOLO[3,4-D]PYRIMIDINES INHIBITING H. PYLORI INFECTIONS ASTRAZENECA AB (SE) 2003-01-09 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 (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-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 MAPT 1601/4885SMN1; SMN2 4597/4885KDM4E 1847/4885
US-20040254183-A1 Pyrazolo[3,4-d]pyrimidines inhibiting h. pylori infections DPYD, HPGDS, PGC MAPT 4180/4885SMN1; SMN2 4754/4885KDM4E 3332/4885

“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.