SCHEMBL9942828

SCHEMBL9942828

CCC(=O)c1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)ccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
HSD17B10 Q99714 1/20 0.55
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
MAPT P10636 4/20 0.54
TSHR P16473 2/20 0.53
LMNA P02545 2/20 0.53
ALDH1A1 P00352 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
RECQL P46063 1/20 0.52
TP53 P04637 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL9941200 0.90 POLB (0.59) POLBHSD17B10KMT2AMEN1MAPT
SCHEMBL9941581 0.86 KMT2A (0.63) POLBHSD17B10KMT2AMEN1MAPT
SCHEMBL9968477 0.83 ALDH1A1 (0.43) POLBKMT2AMEN1MAPTLMNA
SCHEMBL9941834 0.81 KMT2A (0.57) POLBHSD17B10KMT2AMEN1MAPT
SCHEMBL15609571 0.80 POLB (0.56) POLBHSD17B10KMT2AMEN1MAPT
SCHEMBL9941253 0.80 KMT2A (0.59) POLBHSD17B10KMT2AMEN1MAPT
SCHEMBL15609099 0.79 KMT2A (0.54) POLBHSD17B10KMT2AMEN1MAPT
SCHEMBL9941527 0.78 TSHR (0.60) POLBHSD17B10KMT2AMEN1MAPT
SCHEMBL9941840 0.78 MAPT (0.67) POLBHSD17B10KMT2AMEN1MAPT
SCHEMBL9941859 0.77 MAPT (0.65) POLBHSD17B10KMT2AMEN1MAPT

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 POLB 3286/4885HSD17B10 81/4885KMT2A 1368/4885

“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.