SCHEMBL2037294

SCHEMBL2037294

COC(=O)c1ccc(-c2ccc(O)cc2)cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.59
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
GABRA4 P48169 1/20 0.48
UBE2N P61088 1/20 0.48
GABRE P78334 1/20 0.48

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
SCHEMBL11041168 0.86 MAPK1 (0.59) MAPK1KDM4EL3MBTL1DYRK1AMEN1
SCHEMBL31463324 0.85 MAPK1 (0.67) MAPK1CA12CA1CA2CA7
SCHEMBL31463327 0.85 MAPK1 (0.67) MAPK1CA12CA1CA2CA7
SCHEMBL164488 0.85 MAPK1 (0.67) MAPK1CA12CA1CA2CA7
SCHEMBL254303 0.85 MAPK1 (0.57) MAPK1KDM4EL3MBTL1DYRK1AMEN1
SCHEMBL5937430 0.85 EGLN1 (0.57) MAPK1KDM4EL3MBTL1DYRK1ANPC1
SCHEMBL38656583 0.85 MAPK1 (0.57) MAPK1KDM4EL3MBTL1DYRK1AMEN1
SCHEMBL1178942 0.85 FTO (0.58) MAPK1GABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL1585177 0.84 MAPK1 (0.65) MAPK1CA12CA1CA2CA7
Hydrochloric Acid SCHEMBL6345836 0.83 MAPK1 (0.56) MAPK1KDM4EL3MBTL1DYRK1ALCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150175644-A1 MANNOSE DERIVATIVES AS ANTAGONISTS OF BACTERIAL ADHESION UNIV BASEL (CH) 2015-06-25 US disclosed
EP-2604619-A2 Mannose derivatives as antagonists of bacterial adhesion University of Basel (CH) 2013-06-19 EP disclosed
WO-2012164074-A1 MANNOSE PHOSPHATE DERIVATIVES AS ANTAGONISTS OF BACTERIAL ADHESION UNIVERSITY OF BASEL (CH) 2012-12-06 WO disclosed
US-20120270824-A1 MANNOSE DERIVATIVES AS ANTAGONISTS OF BACTERIAL ADHESION UNIVERSITY OF BASEL (CH) 2012-10-25 US disclosed
EP-2513128-A2 MANNOSE DERIVATIVES AS ANTAGONISTS OF BACTERIAL ADHESION University of Basel (CH) 2012-10-24 EP disclosed
WO-2011073112-A2 MANNOSE DERIVATIVES AS ANTAGONISTS OF BACTERIAL ADHESION UNIVERSITY OF BASEL (CH) 2011-06-23 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 (2 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-20120270824-A1 MANNOSE DERIVATIVES AS ANTAGONISTS OF BACTERIAL ADHESION MAN2A1, MANBA, M6PR MAPK1 523/4885CA12 4430/4885CA1 4756/4885
US-20150175644-A1 MANNOSE DERIVATIVES AS ANTAGONISTS OF BACTERIAL ADHESION MAN2A1, MANBA, M6PR MAPK1 523/4885CA12 4430/4885CA1 4756/4885

“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.