SCHEMBL9941503

SCHEMBL9941503

O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.70
ALDH1A1 P00352 5/20 0.70
USP2 O75604 1/20 0.67
LMNA P02545 1/20 0.67
HTT P42858 1/20 0.67
TSHR P16473 2/20 0.65
MAPT P10636 2/20 0.63
MEN1 O00255 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
POLB P06746 1/20 0.63
HSD17B10 Q99714 1/20 0.63
HPGD P15428 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.62

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
SCHEMBL31681308 0.92 KMT2A (0.68) KMT2AALDH1A1USP2LMNAHTT
SCHEMBL12793678 0.86 KMT2A (0.75) KMT2AALDH1A1USP2LMNAHTT
SCHEMBL13063891 0.86 KMT2A (0.71) KMT2AALDH1A1USP2LMNAHTT
SCHEMBL19392334 0.86 KMT2A (0.75) KMT2AALDH1A1LMNATSHRMAPT
SCHEMBL15609263 0.86 KMT2A (0.71) KMT2AALDH1A1USP2LMNAHTT
SCHEMBL9941756 0.85 ALDH1A1 (0.69) KMT2AALDH1A1USP2LMNAHTT
SCHEMBL15627070 0.85 ALDH1A1 (0.69) KMT2AALDH1A1USP2LMNAHTT
SCHEMBL15609891 0.85 ALDH1A1 (0.73) KMT2AALDH1A1USP2LMNAHTT
SCHEMBL19392499 0.84 KMT2A (0.68) KMT2AALDH1A1USP2LMNAHTT
SCHEMBL12792966 0.83 KMT2A (0.67) KMT2AALDH1A1USP2LMNAHTT

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 3 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
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 KMT2A 1368/4885ALDH1A1 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.