SCHEMBL18545993

SCHEMBL18545993

COc1ccc(N(C(=O)c2ccccc2)S(=O)(=O)c2cc(Br)ccc2OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
KMT2A Q03164 6/20 0.58
TSHR P16473 2/20 0.58
HSP90AA1 P07900 1/20 0.55
MAPK1 P28482 1/20 0.54
MAPT P10636 2/20 0.52
GAA P10253 2/20 0.52
TP53 P04637 4/20 0.51
THRB P10828 1/20 0.51
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL18546000 0.91 ALDH1A1 (0.56) ALDH1A1KMT2ATSHRHSP90AA1MAPT
SCHEMBL22722163 0.91 ALDH1A1 (0.69) ALDH1A1KMT2ATSHRHSP90AA1MAPT
SCHEMBL18545992 0.84 ALDH1A1 (0.61) ALDH1A1KMT2ATSHRHSP90AA1MAPT
SCHEMBL20373153 0.81 TP53 (0.62) ALDH1A1KMT2ATSHRHSP90AA1MAPT
SCHEMBL18546039 0.81 TP53 (0.69) ALDH1A1KMT2AHSP90AA1MAPTGAA
SCHEMBL22722166 0.80 ALDH1A1 (0.63) ALDH1A1KMT2ATSHRHSP90AA1MAPT
SCHEMBL22722167 0.79 ALDH1A1 (0.62) ALDH1A1KMT2ATSHRHSP90AA1MAPK1
SCHEMBL18546049 0.79 ALDH1A1 (0.63) ALDH1A1KMT2AHSP90AA1MAPTGAA
SCHEMBL18545997 0.78 HSP90AA1 (0.79) ALDH1A1KMT2AHSP90AA1MAPTGAA
SCHEMBL18545995 0.77 TSHR (0.58) ALDH1A1KMT2ATSHRMAPK1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10851051-B2 Compositions and methods for treating multiple myeloma THE BROAD INSTITUTE, INC. (US) 2020-12-01 US disclosed
WO-2017030987-A9 COMPOSITIONS AND METHODS FOR TREATING MULTIPLE MYELOMA THE BROAD INSTITUTE, INC. (US) 2018-07-12 WO disclosed
WO-2017030987-A1 COMPOSITIONS AND METHODS FOR TREATING MULTIPLE MYELOMA THE BROAD INSTITUTE, INC. (US) 2017-02-23 WO 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-10851051-B2 Compositions and methods for treating multiple myeloma BRIX1, UBQLN1, PRTN3 ALDH1A1 3468/4885KMT2A 1556/4885TSHR 3904/4885

“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.