SCHEMBL10241747

SCHEMBL10241747

COc1ccc(-c2cnsc2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@H](N)CCC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CIT O14578 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TUBB4A P04350 3/20 0.35
TUBB P07437 3/20 0.35
TUBA3C P0DPH7 3/20 0.35
TUBA1B P68363 3/20 0.35
TUBA4A P68366 3/20 0.35
TUBB4B P68371 3/20 0.35
TUBB3 Q13509 3/20 0.35
TUBB2A Q13885 3/20 0.35
TUBB8 Q3ZCM7 3/20 0.35
TUBA3E Q6PEY2 3/20 0.35
TUBA1A Q71U36 3/20 0.35
TUBA1C Q9BQE3 3/20 0.35
TUBB6 Q9BUF5 3/20 0.35

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
SCHEMBL10241274 1.00 CIT (0.37) CITRXFP1CYP3A4CYP2C19POLB
Hydrochloric Acid SCHEMBL624289 0.99 CIT (0.37) CITRXFP1CYP3A4CYP2C19POLB
SCHEMBL10189456 0.93 CIT (0.37) CITRXFP1TUBB4ATUBBTUBA3C
SCHEMBL10240319 0.93 CIT (0.37) CITRXFP1TUBB4ATUBBTUBA3C
SCHEMBL10241278 0.93 CIT (0.37) CITRXFP1TUBB4ATUBBTUBA3C
Hydrochloric Acid SCHEMBL615543 0.92 CIT (0.37) CITRXFP1TUBB4ATUBBTUBA3C
SCHEMBL10242323 0.92 CIT (0.40) CITRXFP1CYP3A4CYP2C19POLB
SCHEMBL10242378 0.92 CIT (0.40) CITRXFP1CYP3A4CYP2C19POLB
Hydrochloric Acid SCHEMBL625522 0.91 CIT (0.40) CITRXFP1CYP3A4CYP2C19POLB
SCHEMBL10189335 0.91 CIT (0.36) CITCYP3A4CYP2C19POLBAAK1

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 11 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20070179159-A1 Compounds for the treatment of proliferative disorders RB1, MKI67, MAPRE1 CIT 337/4885RXFP1 847/4885CYP3A4 4468/4885
US-20120040937-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 CIT 337/4885RXFP1 847/4885CYP3A4 4468/4885
US-20090270353-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 CIT 337/4885RXFP1 847/4885CYP3A4 4468/4885
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 CIT 337/4885RXFP1 847/4885CYP3A4 4468/4885

“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.