SCHEMBL932229

SCHEMBL932229

O=C(OCc1ccccc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 10/20 0.63
TGM1 P22735 9/20 0.63
F13A1 P00488 8/20 0.63
ALDH1A1 P00352 3/20 0.62
LMNA P02545 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
HTT P42858 2/20 0.62
KDM4E B2RXH2 1/20 0.62
TGM3 Q08188 1/20 0.62
PKM P14618 6/20 0.62
MEN1 O00255 1/20 0.62
RAB9A P51151 1/20 0.62
KMT2A Q03164 1/20 0.62
MGLL Q99685 1/20 0.60
GAA P10253 2/20 0.58
ATM Q13315 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
SCHEMBL933020 0.88 SMN1; SMN2 (0.65) TGM2TGM1F13A1ALDH1A1LMNA
SCHEMBL10064223 0.86 TGM2 (0.70) TGM2TGM1F13A1ALDH1A1SMN1; SMN2
SCHEMBL9950632 0.84 PKM (0.66) ALDH1A1LMNASMN1; SMN2HTTKDM4E
SCHEMBL1872113 0.83 TGM2 (0.67) TGM2TGM1F13A1SMN1; SMN2TGM3
SCHEMBL4235140 0.83 TGM2 (0.67) TGM2TGM1F13A1SMN1; SMN2TGM3
SCHEMBL3971768 0.83 TGM2 (0.69) TGM2TGM1F13A1ALDH1A1LMNA
SCHEMBL5253097 0.83 POLB (0.71) TGM2TGM1F13A1ALDH1A1SMN1; SMN2
SCHEMBL17277447 0.83 TGM2 (0.69) TGM2TGM1F13A1ALDH1A1LMNA
SCHEMBL26104923 0.83 TGM2 (0.67) TGM2TGM1F13A1SMN1; SMN2TGM3
SCHEMBL8160575 0.82 PKM (0.69) TGM2ALDH1A1LMNASMN1; SMN2HTT

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 11 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
EP-2448581-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2012-05-09 EP disclosed
WO-2011002816-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. (US) 2011-01-06 WO 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 TGM2 593/4885TGM1 452/4885F13A1 2994/4885

“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.