SCHEMBL2247282

SCHEMBL2247282

O=C(O)c1ccc(-c2ccc(Cl)s2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HA1 P13674 3/20 0.61
P4HTM Q9NXG6 2/20 0.61
HPGDS O60760 2/20 0.53
GABRP O00591 1/20 0.53
GABRD O14764 1/20 0.53
GABRA1 P14867 1/20 0.53
GABRB1 P18505 1/20 0.53
GABRG2 P18507 1/20 0.53
GABRB3 P28472 1/20 0.53
GABRA5 P31644 1/20 0.53
GABRA3 P34903 1/20 0.53
GABRA2 P47869 1/20 0.53
GABRB2 P47870 1/20 0.53
GABRA4 P48169 1/20 0.53
GABRE P78334 1/20 0.53
GABRA6 Q16445 1/20 0.53
GABRG1 Q8N1C3 1/20 0.53
GABRG3 Q99928 1/20 0.53
GABRQ Q9UN88 1/20 0.53
NAPRT Q6XQN6 1/20 0.53

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
SCHEMBL5937277 0.81 MAPK1 (0.51) P4HA1P4HTMHPGDSGABRA5KDM1A
SCHEMBL29397057 0.78 P4HTM (1.00) P4HA1P4HTMGABRPGABRDGABRA1
SCHEMBL68560 0.78 P4HTM (1.00) P4HA1P4HTMGABRPGABRDGABRA1
SCHEMBL29683317 0.78 P4HTM (1.00) P4HA1P4HTMGABRPGABRDGABRA1
SCHEMBL2557775 0.78 P4HA1 (0.58) P4HA1P4HTMHPGDSGABRPGABRD
SCHEMBL5937169 0.76 P4HA1 (0.56) P4HA1P4HTMHPGDSGABRPGABRD
Hydrochloric Acid SCHEMBL8871610 0.76 P4HTM (0.95) P4HA1P4HTMGABRPGABRDGABRA1
Potassium SCHEMBL30900922 0.76 P4HTM (0.95) P4HA1P4HTMGABRPGABRDGABRA1
SCHEMBL470966 0.75 P4HA1 (0.59) P4HA1P4HTMHPGDSGABRPGABRD
SCHEMBL1870857 0.75 HDAC1 (0.54) CSNK2A1PDE4BMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998965-B2 Glutamate aggrecanase inhibitors WYETH LLC (US) 2011-08-16 US disclosed
US-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2010-01-14 US disclosed
US-7553873-B2 Glutamate aggrecanase inhibitors WYETH (US) 2009-06-30 US disclosed
EP-1902014-A2 GLUTAMATE AGGRECANASE INHIBITORS Wyeth (US) 2008-03-26 EP disclosed
US-20070043066-A1 Glutamate aggrecanase inhibitors WYETH (US) 2007-02-22 US disclosed
WO-2007008994-A2 GLUTAMATE AGGRECANASE INHIBITORS WYETH (US) 2007-01-18 WO disclosed
US-20060052384-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression for the treatment of hypercholesterolemia GLAXO GROUP LIMITED (GB) 2006-03-09 US disclosed
EP-1539158-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA GLAXO GROUP LIMITED (GB) 2005-06-15 EP disclosed
WO-2004006922-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA GLAXO GROUP LIMITED (GB) 2004-01-22 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-20100010012-A1 GLUTAMATE AGGRECANASE INHIBITORS ADAMTS5, ADAMTS1, ADAMTS7 P4HA1 1119/4885P4HTM 1356/4885HPGDS 1417/4885
US-20070043066-A1 Glutamate aggrecanase inhibitors ADAMTS5, ADAMTS1, ADAMTS7 P4HA1 1119/4885P4HTM 1356/4885HPGDS 1417/4885
US-20060052384-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression for the treatment of hypercholesterolemia LDLR, NR1H2, NR1H3 P4HA1 950/4885P4HTM 789/4885HPGDS 673/4885

“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.