SCHEMBL366863

SCHEMBL366863

C=CC(O)NC(=O)c1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
PLK1 P53350 1/20 0.54
ALDH1A1 P00352 4/20 0.49
DEGS1 O15121 1/20 0.48
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
CXCR5 P32302 1/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
THRB P10828 1/20 0.45
PTK2B Q14289 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL9480060 0.80 PLK1 (0.53) MMP3HDAC8PLK1ALDH1A1DEGS1
SCHEMBL1505526 0.78 HDAC8 (0.59) MMP3HDAC8PLK1ALDH1A1DEGS1
SCHEMBL8737627 0.77 PLK1 (0.66) MMP3HDAC8PLK1ALDH1A1DEGS1
SCHEMBL1744582 0.74 MMP3 (0.69) MMP3HDAC8PLK1ALDH1A1DEGS1
SCHEMBL10997796 0.74 HDAC8 (0.69) MMP3HDAC8PLK1ALDH1A1DEGS1
SCHEMBL22722201 0.74 HDAC8 (0.59) MMP3HDAC8PLK1ALDH1A1DEGS1
SCHEMBL4255882 0.74 MMP3 (0.59) MMP3HDAC8PLK1ALDH1A1DEGS1
SCHEMBL9829627 0.74 MMP3 (0.54) MMP3HDAC8PLK1ALDH1A1DEGS1
SCHEMBL9829621 0.74 MMP3 (0.54) MMP3HDAC8PLK1ALDH1A1DEGS1
SCHEMBL1605906 0.74 HDAC8 (0.74) MMP3HDAC8PLK1ALDH1A1DEGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9714238-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2017-07-25 US disclosed
US-9714238-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2017-07-25 US disclosed
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2016-11-24 US disclosed
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2016-11-24 US disclosed
US-20150175586-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2015-06-25 US disclosed
US-20150175586-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2015-06-25 US disclosed
US-8633220-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2014-01-21 US disclosed
US-8633220-B2 Therapeutic agents for ocular hypertension ALLERGAN, INC. (US) 2014-01-21 US disclosed
WO-2012003145-A3 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2012-05-03 WO disclosed
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2012-01-19 US disclosed
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2012-01-19 US disclosed
WO-2012003145-A2 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2012-01-05 WO disclosed
WO-2012003145-A2 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION ALLERGAN, INC. (US) 2012-01-05 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 (3 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-20150175586-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 MMP3 774/4885HDAC8 410/4885PLK1 1753/4885
US-20160340347-A9 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 MMP3 774/4885HDAC8 410/4885PLK1 1753/4885
US-20120015978-A1 THERAPEUTIC AGENTS FOR OCULAR HYPERTENSION PTGIR, NHERF1, PTGS1 MMP3 774/4885HDAC8 410/4885PLK1 1753/4885

“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.