SCHEMBL9951591

SCHEMBL9951591

O=C(COc1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 10/20 0.67
LMNA P02545 6/20 0.67
GAA P10253 5/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
HTT P42858 3/20 0.67
MAPK1 P28482 1/20 0.67
ALDH1A1 P00352 6/20 0.67
KDM4E B2RXH2 1/20 0.67
KMT2A Q03164 4/20 0.65
MEN1 O00255 2/20 0.65
RAB9A P51151 1/20 0.65
GPR183 P32249 1/20 0.61
MAPT P10636 1/20 0.60
ALOX12 P18054 1/20 0.60
TDP1 Q9NUW8 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
SCHEMBL9951626 0.91 PKM (0.73) PKMLMNAGAASMN1; SMN2HTT
SCHEMBL10080589 0.89 PKM (0.80) PKMLMNAGAASMN1; SMN2HTT
SCHEMBL9950592 0.89 GAA (0.67) PKMLMNAGAASMN1; SMN2HTT
SCHEMBL9950939 0.88 PKM (0.65) PKMLMNAGAASMN1; SMN2HTT
SCHEMBL9950741 0.88 PKM (0.78) PKMLMNAGAASMN1; SMN2ALDH1A1
SCHEMBL931554 0.85 PKM (0.64) PKMLMNAGAASMN1; SMN2HTT
SCHEMBL10064234 0.85 PKM (0.67) PKMLMNAGAASMN1; SMN2HTT
SCHEMBL9951220 0.84 PKM (0.68) PKMLMNAGAASMN1; SMN2HTT
SCHEMBL10143924 0.83 PKM (0.62) PKMLMNAGAASMN1; SMN2HTT
SCHEMBL932129 0.83 PKM (0.60) PKMLMNAGAASMN1; SMN2HTT

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 10/4885LMNA 1420/4885GAA 1430/4885

“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.