SCHEMBL6681850

SCHEMBL6681850

O=C(O)c1ccc2c(c1)C(=O)C(Cc1ccc(F)c(F)c1)C(=O)N2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TBXA2R P21731 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
GRK6 P43250 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35

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
SCHEMBL6684713 0.90 TRPV1 (0.37) HDAC2HDAC8HDAC6TRPV1
SCHEMBL6666007 0.90 TRPV1 (0.39) TRPV1PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL6665845 0.86 CCKBR (0.41)
SCHEMBL6665695 0.85 NR4A2 (0.43) TBXA2RPTGER4PTGER3PTGER2
SCHEMBL6683144 0.84 MEN1 (0.43) L3MBTL1POLBSMN1; SMN2
SCHEMBL6685148 0.84 TSHR (0.43) TSHR
SCHEMBL6678743 0.83 RXRA (0.43)
SCHEMBL6683152 0.80 MAPT (0.53) ALDH1A1L3MBTL1POLBSMN1; SMN2
SCHEMBL6664555 0.77 CCKBR (0.40)
SCHEMBL6835570 0.76 GRK6 (0.34) HDAC2HDAC8HDAC6TBXA2RPTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040043985-A1 6,6-Fused heteroaryl derivatives as matrix metalloproteinase inhibitors HICKS JAMES LESTER (US) 2004-03-04 US disclosed
WO-2004014388-A1 6,6-FUSED HETEROARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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-20040043985-A1 6,6-Fused heteroaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP26, MMP9 HDAC2 156/4885HDAC8 711/4885HDAC6 146/4885

“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.