SCHEMBL2187363

SCHEMBL2187363

CC(=O)COc1ccc(CCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.50
CA2 P00918 7/20 0.50
CA12 O43570 5/20 0.50
CA9 Q16790 5/20 0.50
NAMPT P43490 1/20 0.49
PTPN1 P18031 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 1/20 0.47
ACACB O00763 3/20 0.47
GLA P06280 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL4427701 0.89 PTPN1 (0.52) CA1CA2CA12CA9NAMPT
SCHEMBL7621920 0.88 PTPN1 (0.51) CA1CA2CA12CA9NAMPT
SCHEMBL27741033 0.86 ACACB (0.59) CA1CA2CA12CA9NAMPT
SCHEMBL1541945 0.85 CA1 (0.64) CA1CA2CA12CA9NAMPT
SCHEMBL8835699 0.85 GLA (0.55) CA1CA2CA12CA9NAMPT
SCHEMBL26964370 0.84 CA1 (0.56) CA1CA2CA12CA9NAMPT
SCHEMBL19003451 0.84 ACACB (0.61) CA1CA2CA12CA9NAMPT
SCHEMBL13886737 0.84 PTPN1 (0.53) CA1CA2CA12CA9NAMPT
SCHEMBL11687632 0.83 NPC1 (0.56) CA1CA2CA12CA9NAMPT
SCHEMBL19607565 0.83 NDUFS8 (0.58) CA1CA2CA12CA9NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8008487-B2 Substituted thieno[2,3-D]pyrimidines as fungicides DOW AGROSCIENCES LLC (US) 2011-08-30 US disclosed
EP-1802632-B1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2011-07-13 EP disclosed
EP-1802632-A1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY Dow AgroSciences LLC (US) 2007-07-04 EP disclosed
WO-2006047397-A1 THIENO-PYRIMIDINE COMPOUNDS HAVING FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2006-05-04 WO disclosed
US-20060089370-A1 Thieno-pyrimidine compounds having fungicidal activity BREWSTER WILLIAM K 2006-04-27 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 (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-20060089370-A1 Thieno-pyrimidine compounds having fungicidal activity TYMP, DPM1, TYMS CA1 4709/4885CA2 3366/4885CA12 4805/4885

“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.