SCHEMBL9968019

SCHEMBL9968019

Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.84
HPGD P15428 2/20 0.74
ALDH1A1 P00352 5/20 0.73
MAPT P10636 4/20 0.73
PKM P14618 2/20 0.73
MEN1 O00255 1/20 0.73
KMT2A Q03164 1/20 0.73
GFER P55789 1/20 0.67
HSP90AA1 P07900 2/20 0.66
HSP90AB1 P08238 2/20 0.66
USP2 O75604 1/20 0.66
POLB P06746 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
KDM4E B2RXH2 1/20 0.61
TSHR P16473 1/20 0.61

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 0.88 GFER (0.78) LMNAHPGDALDH1A1MAPTPKM
SCHEMBL21933266 0.86 LMNA (0.63) LMNAHPGDALDH1A1MAPTPKM
SCHEMBL9968020 0.85 HPGD (0.74) LMNAHPGDALDH1A1MAPTPKM
SCHEMBL9968014 0.85 HPGD (0.74) LMNAHPGDALDH1A1MAPTPKM
SCHEMBL9968015 0.85 HPGD (1.00) LMNAHPGDALDH1A1MAPTPKM
SCHEMBL9968017 0.85 MAPT (1.00) LMNAHPGDALDH1A1MAPTPKM
SCHEMBL15705429 0.84 LMNA (0.85) LMNAHPGDALDH1A1MAPTPKM
SCHEMBL7591707 0.83 LMNA (0.63) LMNAHPGDALDH1A1MAPTGFER
SCHEMBL30926746 0.80 MAPT (0.71) LMNAHPGDALDH1A1MAPTMEN1
SCHEMBL1791457 0.80 MAPT (0.84) LMNAHPGDALDH1A1MAPTMEN1

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 LMNA 3911/4885HPGD 917/4885ALDH1A1 374/4885

“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.