SCHEMBL10064240

SCHEMBL10064240

Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.64
PKM P14618 2/20 0.64
TGM2 P21980 1/20 0.58
CNR1 P21554 2/20 0.55
GPR183 P32249 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 3/20 0.52
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 2/20 0.52
POLB P06746 1/20 0.50
MAPT P10636 2/20 0.49
TP53 P04637 1/20 0.49
ROCK2 O75116 1/20 0.48
KDM4E B2RXH2 2/20 0.48

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
SCHEMBL7074867 0.86 TGM2 (0.55) GAAPKMTGM2CNR1GPR183
SCHEMBL4277156 0.86 CNR1 (0.63) GAAPKMTGM2CNR1GPR183
SCHEMBL7070017 0.83 DGAT1 (0.50) GAAPKMTGM2CNR1GPR183
SCHEMBL10064232 0.80 PKM (0.74) GAAPKMCNR1MEN1KMT2A
SCHEMBL2953438 0.79 CNR1 (0.65) TGM2CNR1GPR183MEN1KMT2A
SCHEMBL4265873 0.78 CNR1 (0.64) TGM2CNR1GPR183MEN1KMT2A
SCHEMBL8898704 0.78 CNR1 (0.67) TGM2CNR1GPR183MEN1KMT2A
SCHEMBL8564336 0.77 MEN1 (0.83) TGM2CNR1GPR183MEN1KMT2A
SCHEMBL18702155 0.77 CNR1 (0.62) TGM2CNR1GPR183MEN1KMT2A
SCHEMBL733443 0.77 GAA (0.70) GAAPKMMEN1KMT2AALDH1A1

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 2 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-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 GAA 1430/4885PKM 10/4885TGM2 593/4885

“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.