SCHEMBL4907208

SCHEMBL4907208

COc1cc(C(=O)O)cc(Cl)c1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.60
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
CA4 P22748 2/20 0.60
CA6 P23280 2/20 0.60
CA7 P43166 2/20 0.60
CA9 Q16790 2/20 0.60
CA14 Q9ULX7 2/20 0.60
CA3 P07451 1/20 0.60
PKM P14618 1/20 0.60
CA5A P35218 1/20 0.60
CA5B Q9Y2D0 1/20 0.60
PTGS2 P35354 1/20 0.56
TPMT P51580 4/20 0.56
TTR P02766 3/20 0.50
HTT P42858 3/20 0.50
CNR2 P34972 1/20 0.50
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 3/20 0.46

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
SCHEMBL11594251 0.90 CA12 (0.67) CA12CA1CA2CA4CA6
SCHEMBL988022 0.85 ALDH1A1 (0.47) CA12CA1CA2CA4CA6
SCHEMBL30927157 0.83 ALDH1A1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL985817 0.83 CA12 (0.75) CA12CA1CA2CA4CA6
SCHEMBL985914 0.83 TPMT (0.69) CA12CA1CA2CA4CA6
SCHEMBL1457782 0.83 ALDH1A1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL20742895 0.81 CA12 (0.56) CA12CA1CA2CA4CA6
SCHEMBL19708820 0.81 CA12 (0.56) CA12CA1CA2CA4CA6
SCHEMBL959747 0.81 CA12 (0.56) CA12CA1CA2CA4CA6
SCHEMBL1457797 0.80 TTR (0.46) CA12CA1CA2CA4CA6

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
EP-1984377-A2 INHIBITORS OF TNF ALPHA , PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH Signal Pharmaceuticals LLC (US) 2008-10-29 EP disclosed
US-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith MCKENNA JEFFREY M 2008-01-03 US disclosed
WO-2007084560-A2 INHIBITORS OF TNFα, PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2007-07-26 WO disclosed
US-4003927-A DIURETICS MERCK & CO., INC. (US) 1977-01-18 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-20080004271-A1 Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith PDE4A, PDE4B, BRAF CA12 1479/4885CA1 233/4885CA2 893/4885

“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.