SCHEMBL1860465

SCHEMBL1860465

COc1ccc(N(C(=O)OC(C)(C)C)S(=O)(=O)c2cccc(C#CCBr)c2)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.38
LMNA P02545 1/20 0.37
PTGER1 P34995 1/20 0.37
MAPT P10636 4/20 0.37
TP53 P04637 2/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 3/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL1864812 0.91 PTGER1 (0.37) PTGDR2LMNAPTGER1MAPTTP53
SCHEMBL1860642 0.87 CA12 (0.38) PTGDR2LMNAMAPTTP53THRB
SCHEMBL4007168 0.87 PTGDR2 (0.43) PTGDR2LMNAPTGER1MAPTTP53
SCHEMBL1855707 0.87 F2 (0.40) PTGDR2LMNAKMT2ACA12CA1
SCHEMBL1858551 0.83 MAPT (0.41) LMNAPTGER1MAPTTP53THRB
SCHEMBL1860841 0.81 PDE4A (0.38) LMNAPTGER1MAPTTP53KMT2A
SCHEMBL1858017 0.81 PTGDR2 (0.41) PTGDR2LMNAKMT2ACA12CA1
SCHEMBL4014515 0.78 PTGDR2 (0.41) PTGDR2LMNAPTGER1MAPTTP53
SCHEMBL1857094 0.78 F2 (0.40) PTGDR2LMNAKMT2ACA12CA1
SCHEMBL4927290 0.76 SIRT2 (0.48) LMNAMAPTTP53KMT2AALDH1A1

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 1 patent. 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

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 PTGDR2 1998/4885LMNA 1947/4885PTGER1 1684/4885

“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.