SCHEMBL931554

SCHEMBL931554

COC(=O)c1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 14/20 0.64
ALDH1A1 P00352 5/20 0.64
LMNA P02545 7/20 0.63
GAA P10253 5/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
HTT P42858 2/20 0.63
MAPK1 P28482 1/20 0.63
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
RAB9A P51151 1/20 0.60
KDM4E B2RXH2 1/20 0.58
MAPT P10636 2/20 0.57
ADRB2 P07550 1/20 0.56
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL10080589 0.90 PKM (0.80) PKMALDH1A1LMNAGAASMN1; SMN2
SCHEMBL9950592 0.88 GAA (0.67) PKMALDH1A1LMNAGAASMN1; SMN2
SCHEMBL9951626 0.87 PKM (0.73) PKMALDH1A1LMNAGAASMN1; SMN2
SCHEMBL9951591 0.85 PKM (0.67) PKMALDH1A1LMNAGAASMN1; SMN2
SCHEMBL10064234 0.83 PKM (0.67) PKMALDH1A1LMNAGAASMN1; SMN2
SCHEMBL9951220 0.82 PKM (0.68) PKMALDH1A1LMNAGAASMN1; SMN2
SCHEMBL10143924 0.82 PKM (0.62) PKMALDH1A1LMNAGAASMN1; SMN2
SCHEMBL9950946 0.80 PKM (0.63) PKMALDH1A1LMNAGAASMN1; SMN2
SCHEMBL932129 0.79 PKM (0.60) PKMALDH1A1LMNAGAASMN1; SMN2
SCHEMBL9951308 0.79 PKM (0.66) PKMALDH1A1LMNAGAASMN1; SMN2

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 10 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

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 1240/4885LMNA 1420/4885

“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.