SCHEMBL9949804

SCHEMBL9949804

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

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.65
KMT2A Q03164 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.60
MAPK1 P28482 1/20 0.60
CYP2C9 P11712 3/20 0.59
CYP2C19 P33261 2/20 0.59
MEN1 O00255 2/20 0.59
CYP3A4 P08684 1/20 0.59
POLB P06746 2/20 0.58
LMNA P02545 1/20 0.58
HTT P42858 1/20 0.57
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.55
GAA P10253 1/20 0.53
GFER P55789 1/20 0.53

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
SCHEMBL10179066 1.00 CYP1A2 (0.65) CYP1A2KMT2ASMN1; SMN2MAPK1CYP2C9
SCHEMBL2891211 0.91 CYP1A2 (0.55) CYP1A2KMT2ASMN1; SMN2MAPK1CYP2C9
SCHEMBL9949471 0.90 TSHR (0.55) CYP1A2KMT2ASMN1; SMN2MAPK1CYP2C9
SCHEMBL9949467 0.90 TSHR (0.55) CYP1A2KMT2ASMN1; SMN2MAPK1CYP2C9
SCHEMBL5295954 0.90 CYP1A2 (0.54) CYP1A2KMT2ASMN1; SMN2MAPK1CYP2C9
SCHEMBL27000220 0.86 CYP1A2 (0.51) CYP1A2KMT2ASMN1; SMN2MAPK1CYP2C9
SCHEMBL26733039 0.85 KMT2A (0.49) CYP1A2KMT2ASMN1; SMN2MAPK1CYP2C9
SCHEMBL27865745 0.83 CYP1A2 (0.48) CYP1A2KMT2ASMN1; SMN2MAPK1CYP2C9
SCHEMBL27000088 0.81 MAPK1 (0.51) CYP1A2KMT2ASMN1; SMN2MAPK1CYP2C9
SCHEMBL2909287 0.81 MAPT (0.50) CYP1A2KMT2AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-06-28 US claimed
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 CYP1A2 2152/4885KMT2A 611/4885SMN1; SMN2 2827/4885

“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.