SCHEMBL1855707

SCHEMBL1855707

CC(C)(C)OC(=O)N(c1ccccc1)S(=O)(=O)c1cccc(C#CCBr)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.39
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 1/20 0.34
CCND1 P24385 1/20 0.34
CDK2 P24941 1/20 0.34
CDK7 P50613 1/20 0.34
CCNH P51946 1/20 0.34
CCNA1 P78396 1/20 0.34
CDK6 Q00534 1/20 0.34
HAO1 Q9UJM8 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
SCHEMBL1860642 0.92 CA12 (0.38) F2PTGDR2LMNACA12CA1
SCHEMBL1857094 0.91 F2 (0.40) F2PTGDR2KMT2ALMNAHTT
SCHEMBL1859337 0.88 ESR1 (0.39) F2KMT2ANR1H2
SCHEMBL1860465 0.87 PTGDR2 (0.38) PTGDR2KMT2ALMNACA12CA1
SCHEMBL1858017 0.85 PTGDR2 (0.41) F2PTGDR2KMT2ALMNAHTT
SCHEMBL4008265 0.84 LMNA (0.41) PTGDR2KMT2ALMNAHTTSMN1; SMN2
SCHEMBL1856320 0.84 STAT5B (0.42) PTGDR2KMT2ALMNASMN1; SMN2PTGES
SCHEMBL1861139 0.80 ALDH1A1 (0.36) F2SMN1; SMN2HAO1PTGES
SCHEMBL1862225 0.80 KMT2A (0.43) F2KMT2ALMNAHTTSMN1; SMN2
SCHEMBL3466973 0.78 CA12 (0.42) PTGDR2KMT2ALMNACA12CA1

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 F2 2826/4885PTGDR2 1998/4885KMT2A 2127/4885

“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.