SCHEMBL9968014

SCHEMBL9968014

O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.74
MAPT P10636 5/20 0.72
GFER P55789 1/20 0.71
ALDH1A1 P00352 3/20 0.69
PKM P14618 3/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
GAA P10253 1/20 0.65
USP2 O75604 1/20 0.62
HSP90AA1 P07900 1/20 0.62
HSP90AB1 P08238 1/20 0.62
LMNA P02545 2/20 0.62
CES1 P23141 1/20 0.60
KDM4E B2RXH2 1/20 0.58
CYP19A1 P11511 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 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 0.88 GFER (0.78) HPGDMAPTGFERALDH1A1PKM
SCHEMBL21933241 0.86 MAPT (0.65) HPGDMAPTGFERALDH1A1PKM
SCHEMBL9968020 0.85 HPGD (0.74) HPGDMAPTGFERALDH1A1PKM
SCHEMBL9968019 0.85 LMNA (0.84) HPGDMAPTGFERALDH1A1PKM
SCHEMBL9968015 0.85 HPGD (1.00) HPGDMAPTGFERALDH1A1PKM
SCHEMBL5229664 0.82 MAPT (0.97) MAPTALDH1A1PKMMEN1KMT2A
SCHEMBL4882901 0.82 GAA (0.57) HPGDMAPTGFERALDH1A1PKM
SCHEMBL9968016 0.82 HSP90AA1 (0.65) HPGDMAPTGFERALDH1A1PKM
SCHEMBL9968017 0.82 MAPT (1.00) HPGDMAPTGFERALDH1A1PKM
SCHEMBL5126064 0.80 SLC10A6 (0.61) HPGDMAPTMEN1KMT2ASMN1; SMN2

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 4552/4885GFER 277/4885

“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.