SCHEMBL1856320

SCHEMBL1856320

CC(C)(C)OC(=O)N(Cc1ccccc1)S(=O)(=O)c1cccc(C#CCBr)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
STAT5B P51692 1/20 0.42
HSD11B1 P28845 1/20 0.40
PTGES O14684 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
AKT1 P31749 1/20 0.39
PTGER2 P43116 1/20 0.39
KCNH2 Q12809 1/20 0.38
TAS2R14 Q9NYV8 5/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 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
SCHEMBL1857447 0.91 STAT5B (0.43) STAT5BHSD11B1PTGESSMN1; SMN2PTGER2
SCHEMBL3635463 0.85 STAT5B (0.44) STAT5BHSD11B1PTGESKCNH2TAS2R14
SCHEMBL1855707 0.84 F2 (0.40) PTGESSMN1; SMN2PTGDR2KMT2ALMNA
SCHEMBL1858017 0.83 PTGDR2 (0.41) HSD11B1SMN1; SMN2PTGDR2KMT2AMEN1
SCHEMBL1857129 0.82 STAT5B (0.46) STAT5BHSD11B1PTGESSMN1; SMN2AKT1
SCHEMBL1856318 0.80 PTGDR2 (0.36) HSD11B1PTGESSMN1; SMN2PTGER2TAS2R14
SCHEMBL1860642 0.78 CA12 (0.38) STAT5BPTGDR2ALDH1A1LMNAPOLB
SCHEMBL1860465 0.76 PTGDR2 (0.38) PTGDR2KMT2AMEN1ALDH1A1LMNA
SCHEMBL4015477 0.76 PTGDR2 (0.45) HSD11B1SMN1; SMN2PTGER2PTGDR2KMT2A
SCHEMBL1856322 0.76 PTGDR2 (0.37) PTGER2PTGDR2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2011-05-05 US disclosed
WO-2009080722-A2 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-07-02 WO 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 (1 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-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AKR1C3, TPD52L2, HCCS STAT5B 4233/4885HSD11B1 826/4885PTGES 3899/4885

“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.