SCHEMBL9949800

SCHEMBL9949800

CC(C)S(=O)(=O)N1CCC[C@H](C(=O)O)C1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
TSHR P16473 2/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
AKR1C3 P42330 5/20 0.46
EPHX2 P34913 1/20 0.46
AKR1C1 Q04828 2/20 0.45
ALDH1A1 P00352 1/20 0.44
PKLR P30613 1/20 0.43

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
SCHEMBL9949809 1.00 KMT2A (0.53) KMT2AMEN1TSHRLMNAMAPT
SCHEMBL17323628 0.90 EPHX2 (0.51) KMT2AMEN1TSHRLMNAMAPT
SCHEMBL25939646 0.90 EPHX2 (0.51) KMT2AMEN1TSHRLMNAMAPT
SCHEMBL9949602 0.81 TSHR (0.64) KMT2AMEN1TSHRMAPTL3MBTL1
SCHEMBL9949812 0.81 TSHR (0.64) KMT2AMEN1TSHRMAPTL3MBTL1
SCHEMBL1439777 0.81 TSHR (0.64) KMT2AMEN1TSHRMAPTL3MBTL1
SCHEMBL9949467 0.79 TSHR (0.55) KMT2AMEN1TSHRMAPTL3MBTL1
SCHEMBL9949471 0.79 TSHR (0.55) KMT2AMEN1TSHRMAPTL3MBTL1
SCHEMBL17323627 0.79 EPHX2 (0.58) KMT2AMEN1TSHRLMNAEPHX2
SCHEMBL16051363 0.79 MAPT (0.55) KMT2ATSHRLMNAMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2473499-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-07-11 EP claimed
US-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-06-28 US claimed
EP-2473499-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-07-11 EP disclosed
EP-2473505-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-07-11 EP disclosed
US-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-06-28 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-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK4, CDK1, CCNI KMT2A 611/4885MEN1 1282/4885TSHR 2992/4885

“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.