SCHEMBL9034989

SCHEMBL9034989

CNC1CCN(S(N)(=O)=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
IKBKB O14920 2/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CCND1 P24385 3/20 0.33
CCNE1 P24864 3/20 0.33
CDK2 P24941 3/20 0.33
CDK6 Q00534 3/20 0.33
TP53 P04637 1/20 0.33
SMYD3 Q9H7B4 3/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
KDM1A O60341 1/20 0.32
EPHX1 P07099 1/20 0.32
EPHX2 P34913 1/20 0.32
GAA P10253 1/20 0.32
FABP6 P51161 1/20 0.31

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
SCHEMBL5344959 0.82 TP53 (0.50) TSHRL3MBTL1TP53SMYD3KDM1A
SCHEMBL8978497 0.80 L3MBTL1 (0.53) TSHRL3MBTL1TP53SMYD3EPHX2
SCHEMBL13939596 0.80 EPHX2 (0.46) TSHRL3MBTL1CCND1CCNE1CDK2
SCHEMBL3931454 0.79 CA1 (0.44) CA1CA2IKBKBTSHRL3MBTL1
SCHEMBL19091357 0.77 CA1 (0.42) CA1CA2IKBKBTSHRL3MBTL1
SCHEMBL8978496 0.77 ALDH1A1 (0.55) CCNE1CDK2GAA
SCHEMBL8342421 0.77 EPHX2 (0.51) TSHRL3MBTL1SMYD3EPHX2GAA
SCHEMBL14618813 0.77 EPHX2 (0.51) TSHRL3MBTL1CCND1CCNE1CDK2
SCHEMBL27019639 0.77 CA1 (0.43) CA1CA2IKBKBTSHRL3MBTL1
SCHEMBL23838711 0.76 TP53 (0.31) TSHRL3MBTL1TP53KDM1AEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 US disclosed
US-8188097-B2 Pyrazolo[1,5-A]pyrimidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-05-29 US disclosed
US-7872006-B2 Pyrazole compounds having cannabinoid receptor (CB1) antagonizing activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-01-18 US disclosed
US-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds TANABE SEIYAKU CO., LTD. (JP) 2009-03-12 US disclosed
US-20090048256-A1 Pyrazole Compounds Having Cannabinoid Receptor (CB1) Antagonizing Activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-02-19 US disclosed
EP-1343503-B1 HETEROARYL UREA NEUROPEPTIDE Y Y5 RECEPTOR ANTAGONISTS SCHERING CORP (US) 2008-11-12 EP disclosed
US-7309704-B2 Heteroaryl urea neuropeptide Y Y5 receptor antagonists SCHERING CORPORATION (US) 2007-12-18 US disclosed
US-7309704-B2 Heteroaryl urea neuropeptide Y Y5 receptor antagonists SCHERING CORPORATION (US) 2007-12-18 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 (3 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-20170190729-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 CA1 4858/4885CA2 4408/4885IKBKB 399/4885
US-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds RECQL, QTRT1, DPYD CA1 4438/4885CA2 3769/4885IKBKB 2921/4885
US-20090048256-A1 Pyrazole Compounds Having Cannabinoid Receptor (CB1) Antagonizing Activity CNR1, CNR2, OPRD1 CA1 2299/4885CA2 1400/4885IKBKB 4219/4885

“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.