SCHEMBL9941756

SCHEMBL9941756

O=S(=O)(NCc1ccc2c(c1)OCO2)c1cccc(F)c1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.69
TSHR P16473 3/20 0.61
LMNA P02545 2/20 0.61
POLB P06746 2/20 0.61
PKM P14618 1/20 0.60
USP2 O75604 1/20 0.60
HTT P42858 1/20 0.60
KMT2A Q03164 2/20 0.60
MAPT P10636 2/20 0.58
MAPK1 P28482 1/20 0.57
HPGD P15428 1/20 0.57
MEN1 O00255 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TP53 P04637 1/20 0.56

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
SCHEMBL9941503 0.85 KMT2A (0.70) ALDH1A1TSHRLMNAPOLBUSP2
SCHEMBL15609891 0.85 ALDH1A1 (0.73) ALDH1A1TSHRLMNAPOLBUSP2
SCHEMBL15627070 0.85 ALDH1A1 (0.69) ALDH1A1TSHRLMNAPOLBUSP2
SCHEMBL15627062 0.82 ALDH1A1 (0.74) ALDH1A1TSHRLMNAPOLBUSP2
SCHEMBL9941608 0.81 CYP19A1 (0.70) ALDH1A1TSHRLMNAUSP2HTT
SCHEMBL9941149 0.80 POLB (0.60) ALDH1A1TSHRLMNAPOLBPKM
SCHEMBL10107724 0.80 L3MBTL1 (0.65) ALDH1A1TSHRLMNAPOLBUSP2
SCHEMBL15627068 0.79 ALDH1A1 (0.62) ALDH1A1TSHRLMNAPOLBUSP2
SCHEMBL31681308 0.79 KMT2A (0.68) ALDH1A1TSHRLMNAPOLBUSP2
SCHEMBL12793173 0.78 LMNA (0.70) ALDH1A1TSHRLMNAPOLBUSP2

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 ALDH1A1 374/4885TSHR 272/4885LMNA 3911/4885

“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.