SCHEMBL10064223

SCHEMBL10064223

O=C(OCc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 12/20 0.70
TGM1 P22735 10/20 0.70
F13A1 P00488 9/20 0.70
TGM3 Q08188 1/20 0.67
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
GAA P10253 1/20 0.56
TSHR P16473 1/20 0.56
CYP2C19 P33261 1/20 0.56
POLB P06746 1/20 0.56
ALDH1A1 P00352 1/20 0.56

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
SCHEMBL1872113 0.91 TGM2 (0.67) TGM2TGM1F13A1TGM3MEN1
SCHEMBL26104923 0.91 TGM2 (0.67) TGM2TGM1F13A1TGM3MEN1
SCHEMBL17277447 0.91 TGM2 (0.69) TGM2TGM1F13A1TGM3MEN1
SCHEMBL5253097 0.91 POLB (0.71) TGM2TGM1F13A1TGM3MEN1
SCHEMBL4235140 0.91 TGM2 (0.67) TGM2TGM1F13A1TGM3KMT2A
SCHEMBL3971768 0.91 TGM2 (0.69) TGM2TGM1F13A1TGM3MEN1
SCHEMBL1871457 0.88 ALDH1A1 (0.70) TGM2TGM1F13A1TGM3KMT2A
SCHEMBL12061638 0.88 TGM2 (0.63) TGM2TGM1F13A1TGM3MEN1
SCHEMBL932229 0.86 TGM2 (0.63) TGM2TGM1F13A1TGM3MEN1
SCHEMBL25381627 0.86 TGM2 (0.76) TGM2TGM1F13A1TGM3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.