SCHEMBL9941305

SCHEMBL9941305

NC(=O)c1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
POLB P06746 2/20 0.54
HSD17B10 Q99714 1/20 0.54
KMT2A Q03164 1/20 0.53
LMNA P02545 3/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 3/20 0.52
USP2 O75604 1/20 0.52
HTT P42858 1/20 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

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
SCHEMBL15627084 0.92 ALDH1A1 (0.58) MAPTPOLBHSD17B10KMT2ALMNA
SCHEMBL9941266 0.90 POLB (0.59) MAPTPOLBHSD17B10KMT2ALMNA
SCHEMBL15609571 0.88 POLB (0.56) MAPTPOLBHSD17B10KMT2ALMNA
SCHEMBL9941576 0.85 KMT2A (0.57) MAPTPOLBHSD17B10KMT2ALMNA
SCHEMBL15609194 0.83 MAPT (0.57) MAPTPOLBHSD17B10KMT2ALMNA
SCHEMBL9941178 0.83 KMT2A (0.57) MAPTPOLBHSD17B10KMT2ALMNA
SCHEMBL15627077 0.83 KMT2A (0.57) MAPTPOLBHSD17B10KMT2ALMNA
SCHEMBL9943215 0.80 KMT2A (0.54) MAPTPOLBHSD17B10KMT2ALMNA
SCHEMBL15629748 0.80 KMT2A (0.54) MAPTPOLBHSD17B10KMT2ALMNA
SCHEMBL15609099 0.80 KMT2A (0.54) MAPTPOLBHSD17B10KMT2ALMNA

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 4552/4885POLB 3286/4885HSD17B10 81/4885

“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.