SCHEMBL1856286

SCHEMBL1856286

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
F2 P00734 2/20 0.38
ESR1 P03372 2/20 0.38
PTPN11 Q06124 1/20 0.37
STAT5B P51692 1/20 0.36
MMP13 P45452 4/20 0.35
MMP2 P08253 3/20 0.35
NR1H2 P55055 1/20 0.35
MMP12 P39900 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
MMP3 P08254 2/20 0.35
STAT3 P40763 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
SCHEMBL1859337 0.90 ESR1 (0.39) KMT2AF2ESR1PTPN11STAT5B
SCHEMBL1857094 0.88 F2 (0.40) KMT2AF2NR1H2
SCHEMBL4014555 0.83 KMT2A (0.44) KMT2AESR1MMP13MMP2MMP12
SCHEMBL1866007 0.82 PTPN11 (0.38) PTPN11MMP13MMP2MMP12
SCHEMBL1859570 0.80 MMP13 (0.38) STAT5BMMP13MMP2MMP3
SCHEMBL1858294 0.79 KMT2A (0.47) KMT2AF2ESR1MMP13MEN1
SCHEMBL1855707 0.78 F2 (0.40) KMT2AF2NR1H2
SCHEMBL1861012 0.77 TP53 (0.37) F2MMP13MMP2NR1H2MMP3
SCHEMBL1864812 0.75 PTGER1 (0.37) KMT2AMEN1
SCHEMBL8752627 0.75 KMT2A (0.56) KMT2AF2MEN1POLB

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

“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.