SCHEMBL1858294

SCHEMBL1858294

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
TP53 P04637 2/20 0.42
THRB P10828 1/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
F2 P00734 1/20 0.40
ESR1 P03372 1/20 0.40
MMP13 P45452 1/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL1862225 0.86 KMT2A (0.43) KMT2AF2MAPK1LMNASMN1; SMN2
SCHEMBL8752627 0.82 KMT2A (0.56) KMT2AF2RAB9AALDH1A1MEN1
SCHEMBL1859337 0.81 ESR1 (0.39) KMT2AF2ESR1MMP13NPSR1
SCHEMBL2378054 0.80 SMN1; SMN2 (0.39) KMT2ATP53THRBLMNASMN1; SMN2
SCHEMBL1856837 0.79 KMT2A (0.53) KMT2ATP53THRBKEAP1NFE2L2
SCHEMBL8946077 0.79 ELANE (0.46) KMT2ATP53THRBF2MMP13
SCHEMBL1856286 0.79 KMT2A (0.40) KMT2AF2ESR1MMP13MEN1
SCHEMBL1858049 0.79 ALDH1A1 (0.39) KMT2ATP53THRBKEAP1NFE2L2
SCHEMBL22134823 0.78 HSD11B1 (0.40) KMT2ATHRBF2ESR1LMNA
SCHEMBL9452058 0.77 KMT2A (0.39) KMT2ATP53F2MMP13LMNA

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 2127/4885TP53 143/4885THRB 1416/4885

“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.