SCHEMBL9968017

SCHEMBL9968017

COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 1.00
ALDH1A1 P00352 5/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
PKM P14618 2/20 1.00
USP2 O75604 1/20 0.73
HSP90AA1 P07900 1/20 0.73
HSP90AB1 P08238 1/20 0.73
KDM4E B2RXH2 1/20 0.71
HPGD P15428 2/20 0.68
TSHR P16473 1/20 0.64
GFER P55789 1/20 0.62
LMNA P02545 2/20 0.61
CYP19A1 P11511 1/20 0.61
GAA P10253 1/20 0.60

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
SCHEMBL9968019 0.85 LMNA (0.84) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL10079157 0.84 GFER (0.78) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL2761881 0.84 RAB9A (0.79) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL9968020 0.82 HPGD (0.74) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL9968014 0.82 HPGD (0.74) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL27179823 0.81 MAPT (0.67) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL30926552 0.81 MAPT (0.67) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL12338939 0.81 NPC1 (0.74) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL9968015 0.81 HPGD (1.00) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL9968021 0.81 MAPT (1.00) MAPTALDH1A1MEN1KMT2APKM

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 4552/4885ALDH1A1 374/4885MEN1 4006/4885

“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.