SCHEMBL10188923

SCHEMBL10188923

COc1ccc(-c2cnsc2-c2cc(C)c(C)c(OC)c2)cc1S

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.45
DHFR P00374 2/20 0.34
CHEK2 O96017 1/20 0.34
KDM4E B2RXH2 1/20 0.33
FYN P06241 1/20 0.33
GAK O14976 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33
TUBB2B Q9BVA1 1/20 0.33

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
SCHEMBL10188813 0.86 PTGS2 (0.46) PTGS2MAPTPDGFRBPDGFRA
SCHEMBL616949 0.86 PTGS2 (0.48) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10188873 0.85 TUBB1 (0.48) PTGS2CHEK2KDM4EFYNTUBB4A
SCHEMBL10188934 0.85 PTGS2 (0.45) PTGS2DHFRCHEK2KDM4EFYN
SCHEMBL10188804 0.84 PTGS2 (0.67) PTGS2FYNTUBB4ATUBBTUBA3C
SCHEMBL10188820 0.82 PTGS2 (0.65) PTGS2FYNTUBB4ATUBBTUBA3C
SCHEMBL10188812 0.82 PTGS2 (0.50) PTGS2DHFRCHEK2FYN
SCHEMBL10188824 0.82 PTGS2 (0.50) PTGS2DHFRCHEK2FYN
SCHEMBL10188977 0.82 PTGS2 (0.50) PTGS2CHEK2KDM4EFYNPDGFRB
SCHEMBL14780746 0.82 PTGS2 (0.42) PTGS2DHFRKDM4EGAKMAPT

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 122/4885CHEK2 443/4885
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 PTGS2 3488/4885DHFR 122/4885CHEK2 443/4885

“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.