SCHEMBL10189302

SCHEMBL10189302

COc1ccc(-c2cnsc2-c2cc(C)c(C)c(OC)c2)cc1OP(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.40
DHFR P00374 1/20 0.33
HTT P42858 1/20 0.33
PRKCZ Q05513 1/20 0.33
CHEK2 O96017 1/20 0.33
KDM4E B2RXH2 1/20 0.33
INPPL1 O15357 1/20 0.33
INPP5A Q14642 1/20 0.33
MAPK1 P28482 1/20 0.33
PIK3CA P42336 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
POLQ O75417 1/20 0.32
FYN P06241 1/20 0.32
GAK O14976 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 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
SCHEMBL10188981 0.89 PTGS2 (0.49) PTGS2CHEK2INPPL1INPP5APOLQ
SCHEMBL10188966 0.89 PTGS2 (0.37) PTGS2CHEK2FYN
SCHEMBL15159001 0.88 HTT (0.36) PTGS2HTTPRKCZKDM4E
SCHEMBL619559 0.88 TUBB4A (0.44) PTGS2KDM4EMAPK1FYNTUBB4A
SCHEMBL10188963 0.87 FYN (0.38) PTGS2DHFRKDM4EINPPL1FYN
SCHEMBL617877 0.87 TUBB4A (0.43) PTGS2KDM4EMAPK1FYNTUBB4A
SCHEMBL10188957 0.84 PTGS2 (0.41) PTGS2HTTKDM4EINPPL1INPP5A
SCHEMBL617571 0.83 TUBB4A (0.45) PTGS2KDM4EMAPK1FYNTUBB4A
SCHEMBL10188873 0.83 TUBB1 (0.48) PTGS2CHEK2KDM4EMAPK1FYN
SCHEMBL10189303 0.83 PTGS2 (0.40) PTGS2DHFRHTTCHEK2KDM4E

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 122/4885HTT 1204/4885
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 PTGS2 3488/4885DHFR 122/4885HTT 1204/4885

“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.