SCHEMBL9951645

SCHEMBL9951645

CNCC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 11/20 0.72
MEN1 O00255 1/20 0.72
RAB9A P51151 1/20 0.72
KMT2A Q03164 1/20 0.72
GAA P10253 5/20 0.71
LMNA P02545 4/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
ALDH1A1 P00352 2/20 0.71
HTT P42858 1/20 0.62
MAPT P10636 2/20 0.60
ATM Q13315 1/20 0.59

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
SCHEMBL9950332 0.86 PKM (0.69) PKMMEN1RAB9AKMT2AGAA
SCHEMBL9950444 0.84 PKM (1.00) PKMMEN1RAB9AKMT2AGAA
SCHEMBL18711449 0.82 PKM (0.74) PKMMEN1RAB9AKMT2AGAA
SCHEMBL10064233 0.81 PKM (0.72) PKMMEN1RAB9AKMT2AGAA
SCHEMBL10064232 0.80 PKM (0.74) PKMMEN1RAB9AKMT2AGAA
SCHEMBL5734142 0.80 ATM (0.67) PKMMEN1RAB9AKMT2AGAA
SCHEMBL18134604 0.80 MCOLN3 (0.83) PKMMEN1RAB9AKMT2ALMNA
SCHEMBL9951915 0.80 PKM (0.80) PKMMEN1RAB9AKMT2AGAA
SCHEMBL9951626 0.80 PKM (0.73) PKMMEN1RAB9AKMT2AGAA
Hydrochloric Acid SCHEMBL5734225 0.79 ATM (0.66) PKMMEN1RAB9AKMT2AGAA

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 10/4885MEN1 3936/4885RAB9A 4089/4885

“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.