SCHEMBL9941510

SCHEMBL9941510

Cc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
HPGD P15428 1/20 0.66
RECQL P46063 1/20 0.66
MAPT P10636 3/20 0.65
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
POLB P06746 2/20 0.61
HSD17B10 Q99714 1/20 0.61
ATM Q13315 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
TSHR P16473 1/20 0.58

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
SCHEMBL9941859 0.91 MAPT (0.65) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9941581 0.89 KMT2A (0.63) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9942723 0.85 MAPT (0.63) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15627084 0.83 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19392334 0.81 KMT2A (0.75) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL9941369 0.79 TSHR (0.58) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9941200 0.79 POLB (0.59) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12793678 0.78 KMT2A (0.75) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL9941503 0.78 KMT2A (0.70) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL9943196 0.77 KMT2A (0.69) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9

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 374/4885CYP1A2 330/4885CYP3A4 1026/4885

“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.