SCHEMBL3304907

SCHEMBL3304907

COc1ccc(-c2[nH]nnc2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)C(N)CCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CIT O14578 1/20 0.35
ADAMTS4 O75173 2/20 0.35
ADAMTS5 Q9UNA0 2/20 0.35
CASR P41180 1/20 0.35
S1PR1 P21453 2/20 0.35
LMNA P02545 1/20 0.35
MMP2 P08253 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ROCK2 O75116 2/20 0.34
ROCK1 Q13464 2/20 0.34
S1PR3 Q99500 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
Hydrochloric Acid SCHEMBL412343 0.99 ADAMTS4 (0.35) CITADAMTS4ADAMTS5CASRS1PR1
SCHEMBL3301915 0.93 MEN1 (0.36) CITCASRLMNAMEN1GAA
Hydrochloric Acid SCHEMBL411341 0.92 MEN1 (0.36) CITCASRLMNAMEN1GAA
SCHEMBL3303404 0.91 CIT (0.38) CITCASRLMNAMEN1GAA
Hydrochloric Acid SCHEMBL412362 0.90 CIT (0.38) CITCASRLMNAMEN1GAA
SCHEMBL3303340 0.89 MAPT (0.39) CITCASRLMNAMEN1GAA
SCHEMBL10189798 0.89 FYN (0.37) CITCASRLMNAMEN1GAA
SCHEMBL3300039 0.89 MARS1 (0.38) CITLMNAMEN1GAAMAPT
SCHEMBL3303169 0.89 SUV39H2 (0.38) CITLMNAMEN1GAAMAPT
Hydrochloric Acid SCHEMBL412941 0.88 MAPT (0.38) CITCASRLMNAMEN1GAA

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-9175022-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2015-11-03 US disclosed
US-20100279410-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2010-11-04 US disclosed
US-20100279410-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2010-11-04 US disclosed
US-7781462-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2010-08-24 US disclosed
US-7781462-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2010-08-24 US disclosed
US-20100093670-A1 Compounds for the treatment of angiogenesis SYNTA PHARMACEUTICALS CORP. 2010-04-15 US disclosed
US-20070238699-A1 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. 2007-10-11 US disclosed
US-20070238699-A1 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. 2007-10-11 US disclosed
WO-2007014198-A1 1, 2, 3 -TRIAZOLES INHIBITORS OF TUBULIN POLYMERIZATION FOR THE TREATMENT OF POLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2007-02-01 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 (2 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-20070238699-A1 Compounds for the treatment of proliferative disorders RB1, MKI67, MAPRE1 CIT 337/4885ADAMTS4 2285/4885ADAMTS5 1853/4885
US-20100093670-A1 Compounds for the treatment of angiogenesis FLT4, FLT1, TEK CIT 787/4885ADAMTS4 321/4885ADAMTS5 205/4885

“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.