SCHEMBL8263003

SCHEMBL8263003

CC1CCN(S(=O)(=O)N2CCOCC2)CC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.67
CA7 P43166 1/20 0.67
CA14 Q9ULX7 1/20 0.67
TSHR P16473 3/20 0.59
SMN1; SMN2 Q16637 4/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
ALDH1A1 P00352 4/20 0.57
CYP3A4 P08684 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL4724826 0.82 CA12 (1.00) CA12CA7CA14TSHRSMN1; SMN2
SCHEMBL2430488 0.79 CA12 (0.67) CA12CA7CA14TSHRSMN1; SMN2
SCHEMBL27328264 0.79 CA12 (0.59) CA12CA7CA14TSHRSMN1; SMN2
SCHEMBL27328188 0.79 CA12 (0.59) CA12CA7CA14TSHRSMN1; SMN2
SCHEMBL12793315 0.78 ALDH1A1 (0.78) SMN1; SMN2ALDH1A1KMT2AMEN1POLB
SCHEMBL16026491 0.75 KDM4E (0.57) L3MBTL1ALDH1A1KMT2AMEN1POLB
SCHEMBL23475113 0.75 CA12 (0.59) CA12CA7CA14TSHRSMN1; SMN2
SCHEMBL14699661 0.75 CA12 (0.59) CA12CA7CA14TSHRSMN1; SMN2
SCHEMBL3183107 0.75 TSHR (1.00) CA12CA7CA14TSHRSMN1; SMN2
SCHEMBL17339932 0.74 CA12 (0.73) CA12CA7CA14TSHRSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S ASTEX THERAPEUTICS LIMITED (UK) 2008-12-11 US disclosed
US-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S ASTEX THERAPEUTICS LIMITED (UK) 2008-12-11 US disclosed
WO-2006077414-A1 PYRAZOLE DERIVATIVES FOR THE INHIBITION OF CDK' S AND GSK' S ASTEX THERAPEUTICS LIMITED (GB) 2006-07-27 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 (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-20080306069-A1 Pyrazole Derivatives for the Inhibition of CDK'S and GSK'S GSK3A, CDK11A, CDK1 CA12 4108/4885CA7 4018/4885CA14 3914/4885

“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.