SCHEMBL10188972

SCHEMBL10188972

COc1cc(-c2sncc2-c2ccc3c(c2)OCC3)cc(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.39
POLQ O75417 1/20 0.35
ERN1 O75460 1/20 0.34
SCN9A Q15858 1/20 0.33
DHFR P00374 1/20 0.32
KIT P10721 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVR1 Q04771 1/20 0.32
BACE1 P56817 2/20 0.32
PRKAB2 O43741 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA2 P54646 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAG3 Q9UGI9 1/20 0.31
PRKAG2 Q9UGJ0 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31
GSK3B P49841 1/20 0.31
APP P05067 1/20 0.31

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
SCHEMBL619368 0.88 PTGS2 (0.41) PTGS2ERN1KITTGFBR1ACVR1
SCHEMBL10188877 0.88 PTGS2 (0.41) PTGS2ERN1KIT
SCHEMBL618669 0.84 PTGS2 (0.38) PTGS2ERN1KITGSK3B
SCHEMBL12338659 0.80 MEN1 (0.35) POLQERN1SCN9AKITTGFBR1
SCHEMBL10188923 0.79 PTGS2 (0.45) PTGS2DHFR
SCHEMBL10188813 0.78 PTGS2 (0.46) PTGS2POLQ
SCHEMBL10188804 0.77 PTGS2 (0.67) PTGS2
SCHEMBL10188873 0.77 TUBB1 (0.48) PTGS2
SCHEMBL10188934 0.77 PTGS2 (0.45) PTGS2DHFRKIT
SCHEMBL617788 0.77 KIT (0.47) PTGS2ERN1KIT

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 3488/4885POLQ 325/4885ERN1 3240/4885
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 PTGS2 3488/4885POLQ 325/4885ERN1 3240/4885

“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.