SCHEMBL1859337

SCHEMBL1859337

CC(C)(C)OC(=O)N(c1ccccc1)S(=O)(=O)c1ccc(C#CCBr)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.39
KMT2A Q03164 2/20 0.39
F2 P00734 2/20 0.38
NR1H2 P55055 1/20 0.37
PTPN11 Q06124 1/20 0.36
STAT5B P51692 1/20 0.35
MMP13 P45452 5/20 0.35
MMP1 P03956 1/20 0.35
MMP9 P14780 1/20 0.35
ADAM17 P78536 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MMP2 P08253 2/20 0.34
MMP3 P08254 2/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL1856286 0.90 KMT2A (0.40) ESR1KMT2AF2NR1H2PTPN11
SCHEMBL1855707 0.88 F2 (0.40) KMT2AF2NR1H2
SCHEMBL3467601 0.83 KMT2A (0.43) ESR1KMT2AMMP13MMP1MMP9
SCHEMBL1859461 0.82 PTPN11 (0.37) F2PTPN11MMP13MMP1MMP9
SCHEMBL1858294 0.81 KMT2A (0.47) ESR1KMT2AF2MMP13MEN1
SCHEMBL1860642 0.80 CA12 (0.38) F2STAT5BPOLB
SCHEMBL1859570 0.79 MMP13 (0.38) STAT5BMMP13MMP1MMP9MMP2
SCHEMBL1857094 0.78 F2 (0.40) KMT2AF2NR1H2
SCHEMBL1861012 0.76 TP53 (0.37) F2NR1H2MMP13MMP1MMP9
SCHEMBL1860465 0.76 PTGDR2 (0.38) KMT2AMEN1

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 ESR1 507/4885KMT2A 2127/4885F2 2826/4885

“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.