SCHEMBL9968015

SCHEMBL9968015

O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 1.00
MAPT P10636 6/20 0.71
HSD17B10 Q99714 2/20 0.71
ALDH1A1 P00352 4/20 0.68
PKM P14618 4/20 0.68
KMT2A Q03164 3/20 0.68
MEN1 O00255 2/20 0.68
HTT P42858 1/20 0.67
GFER P55789 1/20 0.66
USP2 O75604 2/20 0.61
HSP90AA1 P07900 1/20 0.61
HSP90AB1 P08238 1/20 0.61
LMNA P02545 2/20 0.61
POLB P06746 1/20 0.60
KDM4E B2RXH2 1/20 0.57

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
SCHEMBL10079157 0.87 GFER (0.78) HPGDMAPTHSD17B10ALDH1A1PKM
SCHEMBL19097995 0.85 HPGD (0.73) HPGDMAPTHSD17B10ALDH1A1PKM
SCHEMBL9968014 0.85 HPGD (0.74) HPGDMAPTALDH1A1PKMKMT2A
SCHEMBL9968020 0.85 HPGD (0.74) HPGDMAPTHSD17B10ALDH1A1PKM
SCHEMBL9968019 0.85 LMNA (0.84) HPGDMAPTALDH1A1PKMKMT2A
SCHEMBL27180046 0.85 RAB9A (0.72) HPGDMAPTHSD17B10ALDH1A1PKM
SCHEMBL4881954 0.84 HPGD (0.72) HPGDMAPTHSD17B10ALDH1A1PKM
SCHEMBL12010887 0.83 KMT2A (0.72) HPGDMAPTHSD17B10KMT2AMEN1
SCHEMBL30927019 0.82 MAPT (0.77) HPGDMAPTHSD17B10ALDH1A1PKM
SCHEMBL27180119 0.82 MAPT (0.77) HPGDMAPTHSD17B10ALDH1A1PKM

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 HPGD 917/4885MAPT 4552/4885HSD17B10 81/4885

“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.