SCHEMBL4177237

SCHEMBL4177237

NS(=O)(=O)c1cc(C(=O)NC(c2ccccc2)C23CCC(CC2)CN3)ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 17/20 0.57
CA2 P00918 17/20 0.57
SLC6A9 P48067 1/20 0.56
PSMD14 O00487 1/20 0.44
USP2 O75604 1/20 0.44
PLA2G1B P04054 1/20 0.44
ALPL P05186 1/20 0.44
POLB P06746 1/20 0.44
MMP2 P08253 1/20 0.44
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44
PTPN7 P35236 1/20 0.44
DUSP3 P51452 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL4182097 0.88 SLC6A9 (0.55) CA1CA2SLC6A9KMT2ATDP1
SCHEMBL4182285 0.82 SLC6A9 (0.61) SLC6A9
SCHEMBL13949275 0.81 SLC6A9 (0.73) SLC6A9KMT2ALMNAMAPT
SCHEMBL13949251 0.81 SLC6A9 (0.73) SLC6A9KMT2ALMNAMAPT
SCHEMBL13949276 0.81 SLC6A9 (0.73) SLC6A9KMT2ALMNAMAPT
SCHEMBL4184553 0.80 SLC6A9 (0.65) CA1CA2SLC6A9
SCHEMBL4189218 0.78 SLC6A9 (0.70) SLC6A9
SCHEMBL4193275 0.78 SLC6A9 (0.76) SLC6A9
SCHEMBL4193318 0.77 SLC6A9 (0.56) SLC6A9
SCHEMBL4184671 0.76 SLC6A9 (0.54) SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090030033-A1 Novel Compounds 894 ASTRAZENECA AB (SE) 2009-01-29 US claimed
WO-2009013535-A1 2-AZABICYCLO(2.2.2)OCTANE DERIVATIVES AS MODULATORS OF THE GLYCINE TRANSPORTER I RECEPTOR ASTRAZENECA AB (SE) 2009-01-29 WO claimed
US-20090030033-A1 Novel Compounds 894 ASTRAZENECA AB (SE) 2009-01-29 US disclosed
US-20090030033-A1 Novel Compounds 894 ASTRAZENECA AB (SE) 2009-01-29 US disclosed
US-20090030033-A1 Novel Compounds 894 ASTRAZENECA AB (SE) 2009-01-29 US disclosed
WO-2009013535-A1 2-AZABICYCLO(2.2.2)OCTANE DERIVATIVES AS MODULATORS OF THE GLYCINE TRANSPORTER I RECEPTOR ASTRAZENECA AB (SE) 2009-01-29 WO disclosed
WO-2009013535-A1 2-AZABICYCLO(2.2.2)OCTANE DERIVATIVES AS MODULATORS OF THE GLYCINE TRANSPORTER I RECEPTOR ASTRAZENECA AB (SE) 2009-01-29 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-20090030033-A1 Novel Compounds 894 AZI2, TPMT, AMPD2 CA1 4762/4885CA2 4233/4885SLC6A9 4382/4885

“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.