SCHEMBL3077040

SCHEMBL3077040

CCN1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
HTT P42858 2/20 0.51
TSHR P16473 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
CYP2D6 P10635 1/20 0.49
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.43
LPL P06858 1/20 0.42
LIPG Q9Y5X9 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
SCHEMBL299040 0.85 ATM (0.55) POLBHTTTSHRLMNA
SCHEMBL4648682 0.85 TSHR (0.47) POLBHTTTSHRALDH1A1LMNA
SCHEMBL1367859 0.85 POLB (0.57) POLBHTTTSHRALDH1A1MAPT
SCHEMBL28507132 0.84 CA1 (0.43) POLBHTTALDH1A1LMNAKDM4E
SCHEMBL12615115 0.83 POLB (0.59) POLBHTTTSHRALDH1A1LMNA
SCHEMBL4007349 0.82 LMNA (0.59) POLBALDH1A1LMNAKDM4EGAA
SCHEMBL26923874 0.81 KMT2A (0.44) POLBALDH1A1LMNAGAA
SCHEMBL4003103 0.81 MEN1 (0.53) POLBHTTALDH1A1CYP2D6LMNA
SCHEMBL17394350 0.80 KCNH2 (0.44) POLBLMNALPLLIPG
SCHEMBL17393917 0.80 HSD11B1 (0.54) POLBALDH1A1CYP2D6KDM4E

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
US-20100317650-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS INOS INHIBITORS NYCOMED GMBH (DE) 2010-12-16 US disclosed
US-7790710-B2 Imidazopyridine derivatives useful as iNOS inhibitors NYCOMED GMBH (DE) 2010-09-07 US disclosed
EP-1866306-B1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS INOS INHIBITORS NYCOMED GMBH (DE) 2009-06-17 EP disclosed
US-20090131399-A1 Imidazopyridine Derivatives Useful as iNOS Inhibitors NYCOMED GMBH (DE) 2009-05-21 US disclosed
US-7494994-B2 Phenylpyridylpiperazine compounds LES LABORATOIRES SERVIER (FR) 2009-02-24 US disclosed
EP-1866306-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS INOS INHIBITORS Nycomed GmbH (DE) 2007-12-19 EP disclosed
US-20060258670-A1 New phenylpyridylpiperazine compounds LES LABORATOIRES SERVIER (FR) 2006-11-16 US disclosed
WO-2006120349-A1 NOVEL PHENYL-PYRIDINYL-PIPERAZINE DERIVATIVES, A METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES LES LABORATOIRES SERVIER (FR) 2006-11-16 WO disclosed
EP-1721897-A1 Phenylpyridinylpiperazin derivatives, the process to make them and the pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2006-11-15 EP disclosed
WO-2006103255-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS INOS INHIBITORS NYCOMED GMBH (DE) 2006-10-05 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 (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-20060258670-A1 New phenylpyridylpiperazine compounds HRH4, HRH3, HRH2 POLB 4224/4885HTT 2060/4885TSHR 205/4885
US-20100317650-A1 IMIDAZOPYRIDINE DERIVATIVES USEFUL AS INOS INHIBITORS NOS2, NOS1, ARG1 POLB 1986/4885HTT 4507/4885TSHR 1455/4885
US-20090131399-A1 Imidazopyridine Derivatives Useful as iNOS Inhibitors NOS2, NOS1, ARG1 POLB 1986/4885HTT 4507/4885TSHR 1455/4885

“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.