SCHEMBL14780746

SCHEMBL14780746

COc1ccc(-c2cnsc2-c2cc(C)c(C)c(OC)c2)cc1O[SH](=O)=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.42
DHFR P00374 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KIT P10721 4/20 0.34
GAK O14976 1/20 0.33
DYRK1A Q13627 1/20 0.33
MAPT P10636 2/20 0.33
HPGDS O60760 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.32

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
SCHEMBL14447124 0.87 PTGS2 (0.45) PTGS2KDM4EKITALDH1A1
SCHEMBL10188813 0.83 PTGS2 (0.46) PTGS2MAPTALDH1A1
SCHEMBL10188923 0.82 PTGS2 (0.45) PTGS2DHFRKDM4EGAKMAPT
SCHEMBL10188934 0.82 PTGS2 (0.45) PTGS2DHFRKDM4EKITALDH1A1
SCHEMBL10188873 0.82 TUBB1 (0.48) PTGS2KDM4EMAPTALDH1A1GAA
SCHEMBL10189303 0.82 PTGS2 (0.40) PTGS2DHFRKDM4EGAKALDH1A1
SCHEMBL10189302 0.82 PTGS2 (0.40) PTGS2DHFRKDM4EGAKHTT
SCHEMBL10188948 0.81 PTGS2 (0.41) PTGS2KDM4EALDH1A1
SCHEMBL10188804 0.81 PTGS2 (0.67) PTGS2DYRK1A
SCHEMBL10188879 0.80 PTGS2 (0.48) PTGS2HTT

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 3 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

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-20120040937-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 PTGS2 3488/4885DHFR 122/4885KDM4E 2492/4885
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 PTGS2 3488/4885DHFR 122/4885KDM4E 2492/4885

“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.