SCHEMBL9949467

SCHEMBL9949467

CCS(=O)(=O)N1CCC[C@H](C(=O)O)C1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
MAPT P10636 1/20 0.52
KMT2A Q03164 3/20 0.52
CYP1A2 P05177 3/20 0.52
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
USP2 O75604 1/20 0.52
HSD17B10 Q99714 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPK1 P28482 1/20 0.48
AKR1C3 P42330 2/20 0.48

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
SCHEMBL9949471 1.00 TSHR (0.55) TSHRMAPTKMT2ACYP1A2ALDH1A1
SCHEMBL10179066 0.90 CYP1A2 (0.65) TSHRKMT2ACYP1A2ALDH1A1SMN1; SMN2
SCHEMBL9949804 0.90 CYP1A2 (0.65) TSHRKMT2ACYP1A2ALDH1A1SMN1; SMN2
SCHEMBL25939641 0.89 ALDH1A1 (0.49) TSHRMAPTKMT2AALDH1A1L3MBTL1
SCHEMBL2891211 0.88 CYP1A2 (0.55) TSHRKMT2ACYP1A2ALDH1A1SMN1; SMN2
SCHEMBL2909287 0.86 MAPT (0.50) TSHRMAPTKMT2ACYP1A2ALDH1A1
SCHEMBL5295954 0.86 CYP1A2 (0.54) TSHRKMT2ACYP1A2ALDH1A1SMN1; SMN2
SCHEMBL21670259 0.86 TSHR (0.58) TSHRKMT2ACYP1A2ALDH1A1SMN1; SMN2
SCHEMBL12455605 0.86 TSHR (0.58) TSHRKMT2ACYP1A2ALDH1A1SMN1; SMN2
SCHEMBL26733039 0.84 KMT2A (0.49) TSHRMAPTKMT2ACYP1A2SMN1; SMN2

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 10 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
CN-102482265-A Pyrazinylpyridines useful for the treatment of proliferative diseases NOVARTIS AG 2012-05-30 CN claimed
CN-102471310-A Bipyridines useful for the treatment of proliferative diseases NOVARTIS AG 2012-05-23 CN claimed
WO-2020028482-A1 SMALL MOLECULES THAT SENSITIZE HIV-1 INFECTED CELLS TO ANTIBODY DEPENDENT CELLULAR CYTOTOXICITY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2020-02-06 WO disclosed
EP-2473505-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-07-11 EP disclosed
EP-2473499-A1 BIPYRIDINES 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
CN-102482265-A Pyrazinylpyridines useful for the treatment of proliferative diseases NOVARTIS AG 2012-05-30 CN disclosed
CN-102471310-A Bipyridines useful for the treatment of proliferative diseases NOVARTIS AG 2012-05-23 CN 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 TSHR 2992/4885MAPT 2590/4885KMT2A 611/4885

“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.