SCHEMBL9950690

SCHEMBL9950690

O=C(COc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 6/20 0.83
ALDH1A1 P00352 5/20 0.83
SMN1; SMN2 Q16637 2/20 0.83
KMT2A Q03164 3/20 0.72
MEN1 O00255 1/20 0.72
LMNA P02545 3/20 0.72
GAA P10253 3/20 0.71
TDP1 Q9NUW8 1/20 0.69
USP2 O75604 1/20 0.66
TP53 P04637 1/20 0.65
HSD17B10 Q99714 1/20 0.65
POLB P06746 1/20 0.64

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
SCHEMBL752279 0.91 GAA (0.85) PKMALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9950741 0.91 PKM (0.78) PKMALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9951626 0.87 PKM (0.73) PKMALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9951161 0.87 PKM (0.71) PKMALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL12943745 0.86 PKM (0.71) PKMALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL10721826 0.85 MEN1 (1.00) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL11932402 0.84 GAA (0.85) PKMALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL945098 0.84 PKM (0.67) PKMALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL30407276 0.83 PKM (0.67) PKMALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL10064245 0.83 PKM (0.66) PKMALDH1A1SMN1; SMN2LMNAGAA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448581-B1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2016-12-07 EP disclosed
EP-2448581-B1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS INC (US) 2016-12-07 EP disclosed
US-9115086-B2 Therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-9115086-B2 Therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-9115086-B2 Therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2015-08-25 US disclosed
US-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2012-06-28 US disclosed
US-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2012-06-28 US disclosed
US-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2012-06-28 US disclosed
WO-2011002816-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2011-01-06 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-20120165324-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 PKM 10/4885ALDH1A1 1240/4885SMN1; SMN2 3566/4885

“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.