SCHEMBL9941608

SCHEMBL9941608

O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.70
ALDH1A1 P00352 3/20 0.64
USP2 O75604 1/20 0.59
LMNA P02545 1/20 0.59
HTT P42858 1/20 0.59
TSHR P16473 1/20 0.59
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.57
MAPT P10636 2/20 0.57
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
SCHEMBL9941840 0.88 MAPT (0.67) CYP19A1ALDH1A1USP2LMNAHTT
SCHEMBL9941503 0.81 KMT2A (0.70) ALDH1A1USP2LMNAHTTTSHR
SCHEMBL15609891 0.81 ALDH1A1 (0.73) CYP19A1ALDH1A1USP2LMNAHTT
SCHEMBL9941756 0.81 ALDH1A1 (0.69) ALDH1A1USP2LMNAHTTTSHR
SCHEMBL15627070 0.81 ALDH1A1 (0.69) ALDH1A1USP2LMNAHTTTSHR
SCHEMBL9941834 0.81 KMT2A (0.57) ALDH1A1USP2LMNAHTTTSHR
SCHEMBL4349159 0.79 CYP19A1 (0.86) CYP19A1ALDH1A1LMNAHTTKMT2A
SCHEMBL30075076 0.79 CYP19A1 (0.86) CYP19A1ALDH1A1LMNAHTTKMT2A
SCHEMBL9941647 0.78 ALDH1A1 (0.55) ALDH1A1USP2LMNAHTTTSHR
SCHEMBL15609099 0.78 KMT2A (0.54) ALDH1A1USP2LMNAHTTTSHR

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 5 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
US-20140088187-A1 ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2014-03-27 US disclosed
US-20140088187-A1 ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2014-03-27 US disclosed
EP-2651412-A2 ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF Beth Israel Deaconess Medical Center (US) 2013-10-23 EP 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 CYP19A1 8/4885ALDH1A1 374/4885USP2 1694/4885

“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.