SCHEMBL18136599

SCHEMBL18136599

O=C(Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1)c1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c34)cc2)cc1

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TIMP3 P35625 6/20 0.93
RECQL P46063 4/20 0.70
KMT2A Q03164 4/20 0.70
HSD17B10 Q99714 4/20 0.70
TDP1 Q9NUW8 4/20 0.70
ALDH1A1 P00352 3/20 0.70
MEN1 O00255 2/20 0.70
USP2 O75604 2/20 0.70
F11 P03951 1/20 0.64
HPSE Q9Y251 4/20 0.63
MAPT P10636 3/20 0.63
PKM P14618 3/20 0.63
P2RX1 P51575 3/20 0.63
P2RX3 P56373 3/20 0.63
P2RY11 Q96G91 2/20 0.63
SIRT2 Q8IXJ6 2/20 0.63
SIRT1 Q96EB6 2/20 0.63
ENPP3 O14638 1/20 0.63
ENTPD3 O75355 1/20 0.63
NR1I2 O75469 1/20 0.63

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
SCHEMBL3359656 0.96 TIMP3 (1.00) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL375680 0.89 TIMP3 (0.75) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL16255254 0.87 P2RY11 (0.84) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL24621483 0.87 TIMP3 (0.72) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL16453923 0.86 TIMP3 (0.80) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL14557795 0.86 TIMP3 (0.71) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11593603 0.84 TIMP3 (0.68) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11512263 0.84 TIMP3 (0.68) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11426011 0.83 TIMP3 (0.77) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL10897758 0.83 TIMP3 (0.73) TIMP3RECQLKMT2AHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160296523-A1 Sirtuin Modulators as Inhibitors of Cytomegalovirus THE TRUSTEES OF PRINCETON UNIVERSITY 2016-10-13 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-20160296523-A1 Sirtuin Modulators as Inhibitors of Cytomegalovirus SIRT1, SIRT2, SIRT7 TIMP3 636/4885RECQL 1852/4885KMT2A 632/4885

“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.