SCHEMBL3303695

SCHEMBL3303695

COc1ccc(-c2cnsc2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)C(N)CC(C)C

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CIT O14578 3/20 0.49
AAK1 Q2M2I8 15/20 0.47

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 SCHEMBL616477 0.99 CIT (0.49) CITAAK1
SCHEMBL10242378 0.92 CIT (0.40) CITAAK1
SCHEMBL10242323 0.92 CIT (0.40) CITAAK1
SCHEMBL10242389 0.91 CIT (0.40) CITAAK1
SCHEMBL10240320 0.91 CIT (0.40) CITAAK1
Hydrochloric Acid SCHEMBL625522 0.91 CIT (0.40) CITAAK1
SCHEMBL10242380 0.91 AAK1 (0.41) CITAAK1
SCHEMBL617576 0.91 AAK1 (0.41) CITAAK1
Hydrochloric Acid SCHEMBL618178 0.90 AAK1 (0.40) CITAAK1
SCHEMBL616321 0.90 LMNA (0.40) CITAAK1

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-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SUN LIJUN (US) 2013-08-08 US disclosed
US-8399435-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-03-19 US disclosed
US-20120040937-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2012-02-16 US disclosed
US-8058297-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2011-11-15 US disclosed
US-8058297-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2011-11-15 US disclosed
US-20100093670-A1 Compounds for the treatment of angiogenesis SYNTA PHARMACEUTICALS CORP. 2010-04-15 US disclosed
US-20090270353-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SUN LIJUN 2009-10-29 US disclosed
US-20090270353-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SUN LIJUN 2009-10-29 US disclosed
US-7572821-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2009-08-11 US disclosed
US-7572821-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2009-08-11 US disclosed
US-20070179159-A1 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. 2007-08-02 US disclosed
US-20070179159-A1 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. 2007-08-02 US disclosed
WO-2007061909-A1 THIAZOLES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2007-05-31 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 (5 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-20100093670-A1 Compounds for the treatment of angiogenesis FLT4, FLT1, TEK CIT 787/4885AAK1 2001/4885
US-20070179159-A1 Compounds for the treatment of proliferative disorders RB1, MKI67, MAPRE1 CIT 337/4885AAK1 3020/4885
US-20120040937-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 CIT 337/4885AAK1 3020/4885
US-20090270353-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 CIT 337/4885AAK1 3020/4885
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 CIT 337/4885AAK1 3020/4885

“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.