SCHEMBL9941581

SCHEMBL9941581

CCC(=O)c1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)ccc1C

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
MAPT P10636 2/20 0.62
ALDH1A1 P00352 3/20 0.60
POLB P06746 3/20 0.59
HSD17B10 Q99714 1/20 0.59
ATM Q13315 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
HPGD P15428 1/20 0.58
RECQL P46063 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
TSHR P16473 2/20 0.57
LMNA P02545 1/20 0.57

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 0.89 MAPT (0.65) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL9941510 0.89 ALDH1A1 (0.66) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL9942828 0.86 POLB (0.55) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL15609571 0.84 POLB (0.56) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL9941253 0.83 KMT2A (0.59) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL9942723 0.83 MAPT (0.63) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL9941527 0.81 TSHR (0.60) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL9968618 0.81 KMT2A (0.47) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL15609366 0.81 KMT2A (0.64) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL19392334 0.79 KMT2A (0.75) KMT2AMEN1MAPTALDH1A1POLB

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 KMT2A 1368/4885MEN1 4006/4885MAPT 4552/4885

“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.