SCHEMBL9950332

SCHEMBL9950332

O=C(CNc1ccccc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 10/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
RAB9A P51151 1/20 0.69
GAA P10253 6/20 0.65
LMNA P02545 5/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
ALDH1A1 P00352 3/20 0.65
MAPT P10636 3/20 0.60
HTT P42858 2/20 0.57
ATM Q13315 1/20 0.57
CTDSP1 Q9GZU7 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ALOX12 P18054 1/20 0.54

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
SCHEMBL9951645 0.86 PKM (0.72) PKMMEN1KMT2ARAB9AGAA
SCHEMBL9950444 0.82 PKM (1.00) PKMMEN1KMT2ARAB9AGAA
SCHEMBL9951626 0.80 PKM (0.73) PKMMEN1KMT2ARAB9AGAA
SCHEMBL9951915 0.80 PKM (0.80) PKMMEN1KMT2ARAB9AGAA
SCHEMBL10064233 0.79 PKM (0.72) PKMMEN1KMT2ARAB9AGAA
SCHEMBL18134604 0.78 MCOLN3 (0.83) PKMMEN1KMT2ARAB9ALMNA
SCHEMBL18711449 0.77 PKM (0.74) PKMMEN1KMT2ARAB9AGAA
SCHEMBL9950632 0.77 PKM (0.66) PKMMEN1KMT2ARAB9AGAA
SCHEMBL10424718 0.76 PKM (0.65) PKMMEN1KMT2ARAB9AGAA
SCHEMBL10064232 0.76 PKM (0.74) PKMMEN1KMT2ARAB9AGAA

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 8 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

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 3936/4885KMT2A 880/4885

“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.