SCHEMBL10188884

SCHEMBL10188884

COc1ccc(-c2cnsc2-c2cc(OC)c(C)c(C)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.59
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
FYN P06241 1/20 0.37
ALOX5 P09917 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
TUBB4A P04350 1/20 0.36

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
SCHEMBL10242291 0.83 PTGS2 (0.72) PTGS2CYP1A1CYP1B1FYNTUBB4A
SCHEMBL617223 0.81 PTGS2 (0.58) PTGS2KDM4EMEN1KMT2ACYP1A1
SCHEMBL10188804 0.80 PTGS2 (0.67) PTGS2CYP1A1CYP1B1FYNTUBB4A
SCHEMBL10188820 0.79 PTGS2 (0.65) PTGS2FYNPDGFRBPDGFRATUBB4A
SCHEMBL617737 0.76 PTGS2 (0.74) PTGS2KMT2AMAPTTUBB1
SCHEMBL619367 0.76 PTGS2 (0.69) PTGS2CYP1A1CYP1B1ALDH1A1LMNA
SCHEMBL12338614 0.75 MEN1 (0.53) KDM4ENPC1RAB9AMEN1KMT2A
SCHEMBL616273 0.75 PTGS2 (0.72) PTGS2FYNTUBB4ATUBBTUBA3C
SCHEMBL616937 0.74 PTGS2 (0.70) PTGS2FYNTUBB4ATUBBTUBA3C
SCHEMBL617787 0.73 PTGS2 (0.68) PTGS2KDM4ENPC1RAB9AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966172-B1 THIAZOLES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2014-01-08 EP disclosed
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 3488/4885KDM4E 2492/4885NPC1 650/4885
US-20130203824-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 PTGS2 3488/4885KDM4E 2492/4885NPC1 650/4885

“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.