SCHEMBL9968016

SCHEMBL9968016

O=S(=O)(Nc1ccc2c(c1)OCO2)c1cc(Cl)ccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.65
HSP90AB1 P08238 3/20 0.65
GAA P10253 2/20 0.57
HPGD P15428 3/20 0.57
IDH1 O75874 1/20 0.57
USP2 O75604 1/20 0.56
TSHR P16473 1/20 0.56
GFER P55789 1/20 0.55
MAPT P10636 4/20 0.55
TP53 P04637 1/20 0.55
ALDH1A1 P00352 1/20 0.54
HTT P42858 1/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 3/20 0.53
LMNA P02545 1/20 0.53
MCL1 Q07820 1/20 0.52
CDK1 P06493 1/20 0.52
CCNB1 P14635 1/20 0.52
CCNA2 P20248 1/20 0.52
CDK2 P24941 1/20 0.52

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
SCHEMBL4882901 0.89 GAA (0.57) HSP90AA1HSP90AB1GAAHPGDIDH1
SCHEMBL3637457 0.84 GFER (0.53) HSP90AA1HSP90AB1GAAHPGDIDH1
SCHEMBL9968014 0.82 HPGD (0.74) HSP90AA1HSP90AB1GAAHPGDUSP2
SCHEMBL3642307 0.80 TSHR (0.56) HSP90AA1HSP90AB1GAAHPGDIDH1
SCHEMBL21545963 0.79 GAA (0.50) HSP90AA1HSP90AB1GAAHPGDIDH1
SCHEMBL29560043 0.79 GAA (0.50) HSP90AA1HSP90AB1GAAHPGDIDH1
SCHEMBL3687132 0.75 TSHR (0.49) HSP90AA1HSP90AB1HPGDIDH1USP2
SCHEMBL10079157 0.75 GFER (0.78) HSP90AA1HSP90AB1HPGDUSP2TSHR
SCHEMBL3646369 0.74 TSHR (0.52) HSP90AA1HSP90AB1GAAHPGDIDH1
SCHEMBL22095989 0.74 MAPK1 (0.71) HSP90AA1HSP90AB1GAAHPGDTSHR

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 HSP90AA1 1154/4885HSP90AB1 807/4885GAA 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.