SCHEMBL10188809

SCHEMBL10188809

CCc1cc(-c2sncc2-c2ccc(I)cc2)c(O)cc1C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.37
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 1/20 0.33
TNIK Q9UKE5 2/20 0.32
HSD17B1 P14061 2/20 0.31
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL10189171 0.90 PTGS2 (0.38) PTGS2HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL10189167 0.88 PTGS2 (0.52) PTGS2HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL10189174 0.88 PTGS2 (0.37) PTGS2HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL10188872 0.85 PTGS2 (0.57) PTGS2HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL616692 0.84 MEN1 (0.50) PTGS2HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL10189176 0.84 KDM4E (0.38) PTGS2HSP90AA1MEN1KMT2A
SCHEMBL10188805 0.82 CCNC (0.38) PTGS2HSP90AA1HSP90AB1
SCHEMBL616208 0.76 MEN1 (0.47) PTGS2HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL12338543 0.76 MEN1 (0.57) HSP90AA1HSP90AB1MEN1KMT2AGAA
SCHEMBL615667 0.76 MEN1 (0.51) PTGS2HSP90AA1HSP90AB1MEN1KMT2A

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 3488/4885HSP90AA1 289/4885HSP90AB1 161/4885
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 PTGS2 3488/4885HSP90AA1 289/4885HSP90AB1 161/4885

“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.