SCHEMBL9941878

SCHEMBL9941878

O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc(OC(F)(F)F)c(Br)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
TSHR P16473 2/20 0.58
LMNA P02545 2/20 0.58
POLB P06746 2/20 0.58
ALDH1A1 P00352 3/20 0.54
USP2 O75604 1/20 0.53
HTT P42858 1/20 0.53
HSD17B10 Q99714 1/20 0.50
PKM P14618 1/20 0.49

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
SCHEMBL9941726 0.92 TSHR (0.61) MAPTKMT2AMEN1TSHRLMNA
SCHEMBL9941355 0.87 MAPT (0.63) MAPTKMT2AMEN1TSHRLMNA
SCHEMBL15609570 0.85 MAPT (0.58) MAPTKMT2AMEN1TSHRLMNA
SCHEMBL9941815 0.85 MAPT (0.61) MAPTKMT2AMEN1TSHRLMNA
SCHEMBL15609395 0.84 MAPT (0.60) MAPTKMT2AMEN1TSHRLMNA
SCHEMBL15609194 0.84 MAPT (0.57) MAPTKMT2AMEN1TSHRLMNA
SCHEMBL9941378 0.83 TSHR (0.58) MAPTKMT2AMEN1TSHRLMNA
SCHEMBL9941369 0.83 TSHR (0.58) MAPTKMT2AMEN1TSHRLMNA
SCHEMBL9941253 0.82 KMT2A (0.59) MAPTKMT2AMEN1TSHRLMNA
SCHEMBL15610064 0.82 TSHR (0.60) MAPTKMT2AMEN1TSHRLMNA

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 4 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
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 1368/4885MEN1 4006/4885

“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.