SCHEMBL9968018

SCHEMBL9968018

COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c(Cl)c1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.68
HPGD P15428 3/20 0.68
GAA P10253 2/20 0.68
HSD17B10 Q99714 2/20 0.68
ALDH1A1 P00352 4/20 0.65
HSP90AA1 P07900 2/20 0.65
HSP90AB1 P08238 2/20 0.65
USP2 O75604 2/20 0.65
LMNA P02545 5/20 0.58
HTT P42858 1/20 0.58
TSHR P16473 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
PKM P14618 2/20 0.58
GLA P06280 2/20 0.53
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
RAB9A P51151 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL17912761 0.82 SMN1; SMN2 (0.63) HPGDGAAALDH1A1LMNAHTT
SCHEMBL9968021 0.81 MAPT (1.00) MAPTHPGDGAAHSD17B10ALDH1A1
SCHEMBL4882901 0.76 GAA (0.57) MAPTHPGDGAAHSD17B10ALDH1A1
SCHEMBL4528402 0.76 GAA (0.58) MAPTHPGDGAAHSD17B10ALDH1A1
SCHEMBL9968017 0.74 MAPT (1.00) MAPTHPGDGAAALDH1A1HSP90AA1
SCHEMBL9968016 0.74 HSP90AA1 (0.65) MAPTHPGDGAAHSD17B10ALDH1A1
SCHEMBL4522172 0.73 GAA (0.56) MAPTHPGDGAAHSD17B10ALDH1A1
SCHEMBL6518607 0.72 ALDH1A1 (0.86) MAPTHPGDGAAALDH1A1HSP90AA1
SCHEMBL9968014 0.71 HPGD (0.74) MAPTHPGDGAAALDH1A1HSP90AA1
SCHEMBL30926801 0.71 MAPT (0.70) MAPTHPGDGAAHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140088187-A1 ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2014-03-27 US disclosed
WO-2012082862-A2 ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2012-06-21 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-20140088187-A1 ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF AR, NR5A1, ESRRB MAPT 4552/4885HPGD 917/4885GAA 2513/4885

“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.