SCHEMBL3593702

SCHEMBL3593702

CS(=O)(=O)OCc1cccc(OS(C)(=O)=O)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.46
AGXT P21549 2/20 0.46
FAAH O00519 1/20 0.43
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
ALDH1A1 P00352 2/20 0.39
ALDH1A2 O94788 1/20 0.39
ALDH1B1 P30837 1/20 0.39
ALDH1A3 P47895 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
MAOB P27338 1/20 0.37
KMT2A Q03164 1/20 0.37
PTPN1 P18031 1/20 0.37

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
SCHEMBL5636631 0.86 IDO1 (0.59) IDO1AGXTMAOB
SCHEMBL14288608 0.86 IDO1 (0.50) IDO1AGXTFAAHCA1CA2
SCHEMBL8063113 0.85 CA2 (0.45) IDO1AGXTCA1CA2CA9
SCHEMBL16097270 0.84 FFAR1 (0.46) IDO1AGXTMAOB
SCHEMBL5067887 0.83 CHRM2 (0.47) IDO1AGXTCA1CA2CA9
SCHEMBL15923224 0.83 FFAR1 (0.51) ALDH1A1
SCHEMBL8000451 0.83 FAAH (0.42) IDO1AGXTFAAHCA1CA2
SCHEMBL3169174 0.82 SOD1 (0.45) IDO1AGXTFAAHCA1CA2
SCHEMBL2617478 0.82 MAOB (0.57) MAOB
SCHEMBL7167112 0.82 CA2 (0.39) FAAHCA1CA2CA9ALDH1A1

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-7723331-B2 Thienopyrimidine compounds and uses thereof ASTRAZENECA AB (SE) 2010-05-25 US disclosed
US-7723331-B2 Thienopyrimidine compounds and uses thereof ASTRAZENECA AB (SE) 2010-05-25 US disclosed
US-7723331-B2 Thienopyrimidine compounds and uses thereof ASTRAZENECA AB (SE) 2010-05-25 US disclosed
EP-2121703-A1 THIENOPYRIMIDIN-4-ONE AND THIENOPYRIDAZIN-7-ONE DERIVATIVES AS MCH RL ANTAGONISTS AstraZeneca AB (SE) 2009-11-25 EP disclosed
US-20080051405-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-02-28 US disclosed
US-20080051405-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-02-28 US disclosed
US-20080051405-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-02-28 US disclosed
WO-2008020799-A1 THIENOPYRIMIDIN-4-ONE AND THIENOPYRIDAZIN-7-ONE DERIVATIVES AS MCH RL ANTAGONISTS ASTRAZENECA AB (SE) 2008-02-21 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-20080051405-A1 Therapeutic Agents GPR119, HTT, IAPP IDO1 4627/4885AGXT 3475/4885FAAH 800/4885

“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.