SCHEMBL9941840

SCHEMBL9941840

O=[N+]([O-])c1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.67
KMT2A Q03164 3/20 0.67
CYP19A1 P11511 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.62
POLB P06746 2/20 0.60
TSHR P16473 1/20 0.60
HSD17B10 Q99714 1/20 0.60
MEN1 O00255 2/20 0.60
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
ALDH1A1 P00352 3/20 0.57
USP2 O75604 1/20 0.57
LMNA P02545 1/20 0.57
HTT P42858 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
SCHEMBL9941608 0.88 CYP19A1 (0.70) MAPTKMT2ACYP19A1TSHRMEN1
SCHEMBL28498335 0.88 CA1 (0.60) MAPTKMT2ASMN1; SMN2POLBHSD17B10
SCHEMBL13063891 0.83 KMT2A (0.71) MAPTKMT2APOLBTSHRHSD17B10
SCHEMBL12793678 0.83 KMT2A (0.75) MAPTKMT2APOLBTSHRHSD17B10
SCHEMBL19392334 0.83 KMT2A (0.75) MAPTKMT2ASMN1; SMN2POLBTSHR
SCHEMBL15609263 0.83 KMT2A (0.71) MAPTKMT2APOLBTSHRHSD17B10
SCHEMBL9941503 0.83 KMT2A (0.70) MAPTKMT2ASMN1; SMN2POLBTSHR
SCHEMBL1040562 0.83 MAPT (0.76) MAPTKMT2ASMN1; SMN2POLBMEN1
SCHEMBL9941834 0.82 KMT2A (0.57) MAPTKMT2APOLBTSHRHSD17B10
SCHEMBL31681308 0.81 KMT2A (0.68) MAPTKMT2ASMN1; SMN2POLBTSHR

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 MAPT 4552/4885KMT2A 1368/4885CYP19A1 8/4885

“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.