SCHEMBL9949602

SCHEMBL9949602

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

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.64
ALDH1A1 P00352 2/20 0.60
MAPK1 P28482 1/20 0.60
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.54
CYP2C19 P33261 2/20 0.54
KMT2A Q03164 3/20 0.51
POLB P06746 1/20 0.51
MEN1 O00255 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
GLA P06280 1/20 0.49
AKR1C3 P42330 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
SCHEMBL9949812 1.00 TSHR (0.64) TSHRALDH1A1MAPK1GAAMAPT
SCHEMBL1439777 1.00 TSHR (0.64) TSHRALDH1A1MAPK1GAAMAPT
SCHEMBL25939514 0.89 TP53 (0.55) TSHRALDH1A1MAPK1GAAMAPT
SCHEMBL3282634 0.89 TP53 (0.55) TSHRALDH1A1MAPK1GAAMAPT
SCHEMBL25939640 0.89 TP53 (0.55) TSHRALDH1A1MAPK1GAAMAPT
SCHEMBL14009862 0.85 TSHR (0.64) TSHRALDH1A1MAPK1GAACYP2C19
SCHEMBL21670252 0.85 TSHR (0.64) TSHRALDH1A1MAPK1GAACYP2C19
SCHEMBL5022233 0.84 TSHR (0.62) TSHRALDH1A1MAPK1GAACYP2C19
SCHEMBL9949471 0.84 TSHR (0.55) TSHRALDH1A1MAPK1MAPTCYP2C19
SCHEMBL21670253 0.84 TSHR (0.62) TSHRALDH1A1MAPK1GAACYP2C19

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-2473499-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis AG (CH) 2012-07-11 EP claimed
EP-2473498-A1 SUBSTITUTED AMINOQUINOXALINES AS TYROSINE THREONINE KINASE INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 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-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
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 2992/4885ALDH1A1 1528/4885MAPK1 267/4885

“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.