SCHEMBL3237806

SCHEMBL3237806

COc1cc(F)cc(F)c1C(=O)NC(c1ccccc1)C(C)(C)N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.43
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
MTTP P55157 4/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 5/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 2/20 0.34
SLC6A9 P48067 1/20 0.34
KDM4E B2RXH2 1/20 0.34
UBE2N P61088 1/20 0.34

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
SCHEMBL5353056 0.89 SLC6A9 (0.42) ROCK2SLC6A9
SCHEMBL3239965 0.85 ROCK2 (0.40) ROCK2KMT2ATP53ALDH1A1LMNA
SCHEMBL3239591 0.84 KMT2A (0.47) KMT2AALDH1A1LMNAHPGDMEN1
SCHEMBL3238200 0.83 CCR5 (0.39) KMT2AALDH1A1LMNAHPGDMEN1
SCHEMBL26840793 0.83 RXFP1 (0.38) KMT2ARXFP1ALDH1A1LMNAHPGD
SCHEMBL3236158 0.82 SLC6A9 (0.41) KMT2ATP53RXFP1ALDH1A1LMNA
SCHEMBL29765315 0.82 SLC6A9 (0.52) MTTPSLC6A9
SCHEMBL3832646 0.82 SLC6A9 (0.52) MTTPSLC6A9
SCHEMBL3008740 0.82 SLC6A9 (0.52) MTTPSLC6A9
SCHEMBL3014546 0.82 SLC6A9 (0.52) MTTPSLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-7745642-B2 Glycine transport inhibitors GLAXO GROUP LIMITED (GB) 2010-06-29 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
US-20080287547-A1 Glycine Transport Inhibitors GLAXO GROUP LIMITED (GB) 2008-11-20 US disclosed
WO-2006067423-A1 GLYCINE TRANSPORT INHIBITORS GLAXO GROUP LIMITED (GB) 2006-06-29 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-20080287547-A1 Glycine Transport Inhibitors SLC18A2, SLC6A5, SLC1A2 ROCK2 3687/4885KMT2A 1871/4885TP53 3296/4885

“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.