SCHEMBL13315786

SCHEMBL13315786

O=c1oc2ccccc2cc1-n1cc(-c2ccc(C(F)(F)F)cc2)nn1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 13/20 0.47
▸ PTGS2 P35354 2/20 0.45
▸ ABCG2 Q9UNQ0 1/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ SRC P12931 1/20 0.44
▸ APP P05067 2/20 0.42
▸ OPRD1 P41143 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41

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
SCHEMBL3550958 0.87 SRC (0.52) PTGS2ABCG2CA12CA9SRC
SCHEMBL13315784 0.85 KDM4E (0.47) PTGS2CA12CA9SRCAPP
SCHEMBL13315795 0.83 ABCG2 (0.52) PTGS2ABCG2CA12CA9
SCHEMBL13315783 0.78 MEN1 (0.49) CA12CA9SRCAPP
SCHEMBL13315785 0.76 RAB9A (0.44) CA12CA9SRCAPP
SCHEMBL13315790 0.75 MIF (0.54) ABCG2SRC
SCHEMBL2248079 0.75 BCHE (0.44) PTGS2ABCG2CA12CA9SRC
SCHEMBL13315799 0.73 MAPT (0.58) —
SCHEMBL3550061 0.72 MAPT (0.60) —
SCHEMBL18031113 0.72 ABCG2 (0.54) P2RY14PTGS2ABCG2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745229-B2 Chemoselective fluorgenic molecular linkers and methods for their preparation and use UNIVERSITY OF SOUTH CAROLINA 2010-06-29 — — US disclosed
US-7745229-B2 Chemoselective fluorgenic molecular linkers and methods for their preparation and use UNIVERSITY OF SOUTH CAROLINA 2010-06-29 — — US disclosed
US-20070224695-A1 Chemoselective Fluorgenic Molecular Linkers and Methods for Their Preparation and Use UNIVERSITY OF SOUTH CAROLINA (US) 2007-09-27 — — US disclosed
US-20070224695-A1 Chemoselective Fluorgenic Molecular Linkers and Methods for Their Preparation and Use UNIVERSITY OF SOUTH CAROLINA (US) 2007-09-27 — — 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-20070224695-A1 Chemoselective Fluorgenic Molecular Linkers and Methods for Their Preparation and Use KIT, HLCS, ALK P2RY14 1659/4885PTGS2 4608/4885ABCG2 383/4885

“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.

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